(3R)-1-[(2S)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]piperidin-1-ium-3-carboxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C19H28N4O3/c1-14(23-8-2-3-15(13-23)18(20)24)19(25)21-16-4-6-17(7-5-16)22-9-11-26-12-10-22/h4-7,14-15H,2-3,8-13H2,1H3,(H2,20,24)(H,21,25)/p+1/t14-,15+/m0/s1