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

Systemtic Name: methyl 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-(4-p-anisylpiperazin-4-ium-1-carbonyl)benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-26-19-9-3-16(4-10-19)15-22-11-13-23(14-12-22)20(24)17-5-7-18(8-6-17)21(25)27-2/h3-10H,11-15H2,1-2H3/p+1