4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]prop-1-enyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]prop-1-enyl]phenyl]-dimethyl-amine Formula: C21H27ClN3+ MolecularWeight: 356.91218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3/c1-23(2)20-10-8-18(9-11-20)5-4-12-24-13-15-25(16-14-24)21-7-3-6-19(22)17-21/h3-11,17H,12-16H2,1-2H3/p+1/b5-4+