butyl 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]benzoic acid butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)C2CC[NH+](CC2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C20H31N3O3/c1-4-5-14-26-20(25)16-6-8-17(9-7-16)21-19(24)15-23(3)18-10-12-22(2)13-11-18/h6-9,18H,4-5,10-15H2,1-3H3,(H,21,24)/p+1