4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzonitrile Formula: C25H24N3O+ MolecularWeight: 382.47756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O/c26-18-21-10-8-20(9-11-21)12-13-25(29)28-16-14-27(15-17-28)19-23-6-3-5-22-4-1-2-7-24(22)23/h1-13H,14-17,19H2/p+1/b13-12+