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

Systemtic Name: N,N-dimethyl-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]aniline Openeye Name: N,N-dimethyl-4-[(E)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]iminomethyl]aniline CAS Name: N,N-dimethyl-4-[(E)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]iminomethyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]aniline Traditional Name: dimethyl-[4-[(E)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]iminomethyl]phenyl]amine Formula: C21H29N4+ MolecularWeight: 337.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H28N4/c1-18-4-6-20(7-5-18)17-24-12-14-25(15-13-24)22-16-19-8-10-21(11-9-19)23(2)3/h4-11,16H,12-15,17H2,1-3H3/p+1/b22-16+