(3S)-1-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-14(9-10-15-6-3-2-4-7-15)20-17(22)13-21-11-5-8-16(12-21)18(19)23/h2-4,6-7,14,16H,5,8-13H2,1H3,(H2,19,23)(H,20,22)/p+1/t14-,16+/m1/s1