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

Systemtic Name: N,N-dimethyl-4-[(E)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]aniline Openeye Name: 4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(E)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]prop-1-enyl]aniline IUPAC Name: 4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-3-(4-benzylpiperazin-1-ium-1-yl)prop-1-enyl]phenyl]-dimethyl-amine Formula: C22H30N3+ MolecularWeight: 336.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3/c1-23(2)22-12-10-20(11-13-22)9-6-14-24-15-17-25(18-16-24)19-21-7-4-3-5-8-21/h3-13H,14-19H2,1-2H3/p+1/b9-6+