4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c24-16-18-8-10-20(11-9-18)23(27)26-14-12-25(13-15-26)17-21-6-3-5-19-4-1-2-7-22(19)21/h1-11H,12-15,17H2/p+1