N,N-dimethyl-4-[(R)-(4-methylphenyl)-piperazin-4-ium-1-yl-methyl]aniline

Systemtic Name: N,N-dimethyl-4-[(R)-(4-methylphenyl)-piperazin-4-ium-1-yl-methyl]aniline Openeye Name: N,N-dimethyl-4-[(R)-piperazin-4-ium-1-yl(p-tolyl)methyl]aniline CAS Name: N,N-dimethyl-4-[(R)-(4-methylphenyl)-(1-piperazin-4-iumyl)methyl]aniline IUPAC Name: N,N-dimethyl-4-[(R)-(4-methylphenyl)-piperazin-4-ium-1-ylmethyl]aniline Traditional Name: dimethyl-[4-[(R)-piperazin-4-ium-1-yl(p-tolyl)methyl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C20H27N3/c1-16-4-6-17(7-5-16)20(23-14-12-21-13-15-23)18-8-10-19(11-9-18)22(2)3/h4-11,20-21H,12-15H2,1-3H3/p+1/t20-/m1/s1