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

Systemtic Name: N,N-dimethyl-4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]aniline Openeye Name: N,N-dimethyl-4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]aniline CAS Name: N,N-dimethyl-4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-(1-piperazin-4-iumyl)methyl]aniline IUPAC Name: N,N-dimethyl-4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-ylmethyl]aniline Traditional Name: dimethyl-[4-[(S)-(3-methyl-1H-imidazol-3-ium-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]amine Formula: C17H27N5+2 MolecularWeight: 301.42978

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N5/c1-20(2)15-6-4-14(5-7-15)16(17-19-10-11-21(17)3)22-12-8-18-9-13-22/h4-7,10-11,16,18H,8-9,12-13H2,1-3H3/p+2/t16-/m0/s1