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

Systemtic Name: (E)-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-(3-nitrophenyl)acrylonitrile Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2/c25-12-11-24(20-7-4-9-22(17-20)28(29)30)27-15-13-26(14-16-27)18-21-8-3-6-19-5-1-2-10-23(19)21/h1-11,17H,13-16,18H2/p+1/b24-11+