methyl 4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]benzoic acid methyl ester Formula: C24H26N3O2+ MolecularWeight: 388.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O2/c1-29-24(28)21-11-9-19(10-12-21)17-25-27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/p+1/b25-17-