2-azanyl-N-[1-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]propanamide

Systemtic Name: 2-azanyl-N-[1-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]propanamide Openeye Name: 2-amino-N-[1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]propanamide CAS Name: 2-amino-N-[1-(1-phenylcycloheptyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumyl]propanamide IUPAC Name: 2-amino-N-[1-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-yl]propanamide Traditional Name: 2-amino-N-[1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]propionamide Formula: C28H38N5O+ MolecularWeight: 460.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2[N+]1(C3CCNCC3)C4(CCCCCC4)C5=CC=CC=C5)N

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2[N+]1(C3CCNCC3)C4(CCCCCC4)C5=CC=CC=C5)N

InChI

InChI=1S/C28H37N5O/c1-21(29)26(34)32-27-31-24-13-7-8-14-25(24)33(27,23-15-19-30-20-16-23)28(17-9-2-3-10-18-28)22-11-5-4-6-12-22/h4-8,11-14,21,23,30H,2-3,9-10,15-20,29H2,1H3/p+1