ethyl 5-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H27N4O4+ MolecularWeight: 351.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CC[NH+](CC2)CC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CC[NH+](CC2)CC(=O)N)C

InChI

InChI=1S/C17H26N4O4/c1-4-25-17(24)14-10(2)15(19-11(14)3)16(23)20-12-5-7-21(8-6-12)9-13(18)22/h12,19H,4-9H2,1-3H3,(H2,18,22)(H,20,23)/p+1