[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(4-butoxycarbonylanilino)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H33N3O3+2 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](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+2