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

Systemtic Name: methyl 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-29-24(28)20-11-9-19(10-12-20)23(27)26-15-13-25(14-16-26)17-21-7-4-6-18-5-2-3-8-22(18)21/h2-12H,13-17H2,1H3/p+1