N-(2-methylpropyl)-1-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isobutyl-1-[2-(4-morpholinoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-methylpropyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isobutyl-1-[2-keto-2-(4-morpholinoanilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)CNC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H34N4O3/c1-17(2)15-23-22(28)18-7-9-25(10-8-18)16-21(27)24-19-3-5-20(6-4-19)26-11-13-29-14-12-26/h3-6,17-18H,7-16H2,1-2H3,(H,23,28)(H,24,27)/p+1