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

Systemtic Name: 1-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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