methyl 3-acetamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-acetamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-acetamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-acetamido-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-acetamido-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H21N3O3/c1-11(19)16-13-10-12(15(20)21-3)4-5-14(13)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3,(H,16,19)/p+1