ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H25N3O4S/c1-2-25-18(24)15-13(11-3-4-11)10-26-17(15)20-14(22)9-21-7-5-12(6-8-21)16(19)23/h10-12H,2-9H2,1H3,(H2,19,23)(H,20,22)/p+1