N,N-dimethyl-4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-piperazin-4-ium-1-yl-methyl]aniline

Systemtic Name: N,N-dimethyl-4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-piperazin-4-ium-1-yl-methyl]aniline Openeye Name: 4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(S)-[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]-(1-piperazin-4-iumyl)methyl]aniline IUPAC Name: 4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-ylmethyl]-N,N-dimethylaniline Traditional Name: [4-[(S)-(3-benzyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]-dimethyl-amine Formula: C23H31N5+2 MolecularWeight: 377.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5/c1-26(2)21-10-8-20(9-11-21)22(27-15-12-24-13-16-27)23-25-14-17-28(23)18-19-6-4-3-5-7-19/h3-11,14,17,22,24H,12-13,15-16,18H2,1-2H3/p+2/t22-/m0/s1