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

Systemtic Name: methyl 1-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H33N3O4+2 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-27-21(26)17-6-8-23(9-7-17)16-20(25)22-14-18-4-2-3-5-19(18)15-24-10-12-28-13-11-24/h2-5,17H,6-16H2,1H3,(H,22,25)/p+2