3-[1-[[4-[1-azanyl-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 3-[1-[[4-[1-azanyl-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 3-[1-[[4-[1-amino-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 3-[1-[[4-[1-amino-5-(2-pyrrolidinylmethyl)-1-benzimidazol-1-iumyl]-2-pyrimidinyl]amino]ethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 3-[1-[[4-[1-amino-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 3-[1-[[4-[1-amino-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Formula: C30H38N9O+ MolecularWeight: 540.68242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)[N+]4(C=NC5=C4C=CC(=C5)CC6CCCN6)N

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)[N+]4(C=NC5=C4C=CC(=C5)CC6CCCN6)N

InChI

InChI=1S/C30H37N9O/c1-21(23-7-6-16-38(19-23)30(40)36-24-8-3-2-4-9-24)35-29-33-15-13-28(37-29)39(31)20-34-26-18-22(11-12-27(26)39)17-25-10-5-14-32-25/h2-4,8-9,11-13,15,18,20-21,23,25,32H,5-7,10,14,16-17,19,31H2,1H3,(H-,33,35,36,37,40)/p+1