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

Systemtic Name: (E)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-17-5-4-6-18(15-17)16-22-11-13-23(14-12-22)21(25)10-9-19-7-2-3-8-20(19)24(26)27/h2-10,15H,11-14,16H2,1H3/p+1/b10-9+