(3S)-1-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-[(1,1-dimethyl-3-oxo-butyl)amino]-3-oxo-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-keto-3-[(3-keto-1,1-dimethyl-butyl)amino]propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCCC(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O3/c1-16(25)14-21(2,3)23-19(26)11-13-24-12-7-8-17(15-24)20(27)22-18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-15H2,1-3H3,(H,22,27)(H,23,26)/p+1/t17-/m0/s1