N-[4-[(S)-[1-(phenylmethyl)benzimidazol-2-yl]-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-[1-(phenylmethyl)benzimidazol-2-yl]-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(1-benzylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-[1-(phenylmethyl)-2-benzimidazolyl]-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(1-benzylbenzimidazol-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(1-benzylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CC[NH2+]CC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CC[NH2+]CC5

InChI

InChI=1S/C27H29N5O/c1-20(33)29-23-13-11-22(12-14-23)26(31-17-15-28-16-18-31)27-30-24-9-5-6-10-25(24)32(27)19-21-7-3-2-4-8-21/h2-14,26,28H,15-19H2,1H3,(H,29,33)/p+1/t26-/m0/s1