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

Systemtic Name: 3-(4-nitrophenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: 3-(4-nitrophenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c24-20(11-8-17-6-9-19(10-7-17)23(25)26)22-14-12-21(13-15-22)16-18-4-2-1-3-5-18/h1-11H,12-16H2/p+1