(3S)-1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C19H29N3O2/c1-14(2)11-17(15-7-4-3-5-8-15)21-18(23)13-22-10-6-9-16(12-22)19(20)24/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H2,20,24)(H,21,23)/p+1/t16-,17+/m0/s1