ethyl 1-[3-[[2-(cyclopropylcarbamoyl)phenyl]amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[[2-(cyclopropylcarbamoyl)phenyl]amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[2-[(cyclopropylamino)-oxomethyl]anilino]-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[2-(cyclopropylcarbamoyl)anilino]-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C21H29N3O4/c1-2-28-21(27)15-9-12-24(13-10-15)14-11-19(25)23-18-6-4-3-5-17(18)20(26)22-16-7-8-16/h3-6,15-16H,2,7-14H2,1H3,(H,22,26)(H,23,25)/p+1