(3-methyl-4-nitro-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-17-16-19(9-10-20(17)24(26)27)21(25)23-14-12-22(13-15-23)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15H2,1H3/p+1/b8-5+