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

Systemtic Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3/c28-24(13-12-20-7-2-4-11-23(20)27(29)30)26-16-14-25(15-17-26)18-21-9-5-8-19-6-1-3-10-22(19)21/h1-13H,14-18H2/p+1/b13-12+