1-[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C19H29N3O2/c1-12(2)16-7-5-6-13(3)17(16)21-19(24)14(4)22-10-8-15(9-11-22)18(20)23/h5-7,12,14-15H,8-11H2,1-4H3,(H2,20,23)(H,21,24)/p+1/t14-/m0/s1