(3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]nipecotamide Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H28N6O/c1-2-31-15-13-26-23(31)17-30-14-5-6-19(16-30)25(32)27-20-11-9-18(10-12-20)24-28-21-7-3-4-8-22(21)29-24/h3-4,7-13,15,19H,2,5-6,14,16-17H2,1H3,(H2,27,28,29,32)/p+1/t19-/m0/s1