N-[4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-piperazin-4-ium-1-yl-methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide CAS Name: N-[4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-(1-piperazin-4-iumyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-ylmethyl]phenyl]acetamide Traditional Name: N-[4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]acetamide Formula: C23H29N5O+2 MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=[N+](C=CN2)CC3=CC=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=[N+](C=CN2)CC3=CC=CC=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C23H27N5O/c1-18(29)26-21-9-7-20(8-10-21)22(27-14-11-24-12-15-27)23-25-13-16-28(23)17-19-5-3-2-4-6-19/h2-10,13,16,22,24H,11-12,14-15,17H2,1H3,(H,26,29)/p+2/t22-/m0/s1