methyl 1-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H31N3O4+2 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O4/c1-26-20(25)17-6-8-22(9-7-17)15-19(24)21-18-4-2-16(3-5-18)14-23-10-12-27-13-11-23/h2-5,17H,6-15H2,1H3,(H,21,24)/p+2