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

Systemtic Name: N,N-dimethyl-4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]aniline Openeye Name: N,N-dimethyl-4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]aniline CAS Name: N,N-dimethyl-4-[(S)-(1-methyl-2-pyrrolyl)-(1-piperazin-4-iumyl)methyl]aniline IUPAC Name: N,N-dimethyl-4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-ylmethyl]aniline Traditional Name: dimethyl-[4-[(S)-(1-methylpyrrol-2-yl)-piperazin-4-ium-1-yl-methyl]phenyl]amine Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

Isomeric SMILES

CN1C=CC=C1[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C18H26N4/c1-20(2)16-8-6-15(7-9-16)18(17-5-4-12-21(17)3)22-13-10-19-11-14-22/h4-9,12,18-19H,10-11,13-14H2,1-3H3/p+1/t18-/m0/s1