1-[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C19H29N3O2/c1-4-13(2)16-7-5-6-8-17(16)21-19(24)14(3)22-11-9-15(10-12-22)18(20)23/h5-8,13-15H,4,9-12H2,1-3H3,(H2,20,23)(H,21,24)/p+1/t13-,14-/m0/s1