(3S)-1-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-[benzyl(ethyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2S)-1-[ethyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-[benzyl(ethyl)amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-3-20(12-15-8-5-4-6-9-15)18(23)14(2)21-11-7-10-16(13-21)17(19)22/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3,(H2,19,22)/p+1/t14-,16-/m0/s1