[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O4S/c1-2-26-20(25)23-9-7-16(8-10-23)21-19(24)15-22(13-17-5-3-11-27-17)14-18-6-4-12-28-18/h3-6,11-12,16H,2,7-10,13-15H2,1H3,(H,21,24)/p+1