2-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: 2-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: 2-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 2-[(E)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]benzoate IUPAC Name: 2-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 2-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C23H23N3O2/c27-23(28)22-11-4-2-7-19(22)16-24-26-14-12-25(13-15-26)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2,(H,27,28)/b24-16+