N,N-dimethyl-4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]aniline

Systemtic Name: N,N-dimethyl-4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]aniline Openeye Name: N,N-dimethyl-4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]aniline CAS Name: N,N-dimethyl-4-[(S)-(1-methyl-2-benzimidazolyl)-(1-piperazin-4-iumyl)methyl]aniline IUPAC Name: N,N-dimethyl-4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-ylmethyl]aniline Traditional Name: dimethyl-[4-[(S)-(1-methylbenzimidazol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]amine Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(C)C)N4CC[NH2+]CC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C3=CC=C(C=C3)N(C)C)N4CC[NH2+]CC4

InChI

InChI=1S/C21H27N5/c1-24(2)17-10-8-16(9-11-17)20(26-14-12-22-13-15-26)21-23-18-6-4-5-7-19(18)25(21)3/h4-11,20,22H,12-15H2,1-3H3/p+1/t20-/m0/s1