N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine

Systemtic Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine Openeye Name: 3-(2-nitrophenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine CAS Name: N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(2-nitrophenyl)-2-propen-1-imine IUPAC Name: N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-[3-(2-nitrophenyl)prop-2-enylidene]amine Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-18-8-10-19(11-9-18)17-23-13-15-24(16-14-23)22-12-4-6-20-5-2-3-7-21(20)25(26)27/h2-12H,13-17H2,1H3/p+1