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

Systemtic Name: 4-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline CAS Name: 4-[(S)-(3-bromophenyl)-(1-piperazin-4-iumyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(S)-(3-bromophenyl)-piperazin-4-ium-1-ylmethyl]-N,N-dimethylaniline Traditional Name: [4-[(S)-(3-bromophenyl)-piperazin-4-ium-1-yl-methyl]phenyl]-dimethyl-amine Formula: C19H25BrN3+ MolecularWeight: 375.3259

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)N3CC[NH2+]CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)Br)N3CC[NH2+]CC3

InChI

InChI=1S/C19H24BrN3/c1-22(2)18-8-6-15(7-9-18)19(23-12-10-21-11-13-23)16-4-3-5-17(20)14-16/h3-9,14,19,21H,10-13H2,1-2H3/p+1/t19-/m0/s1