(2S)-1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(4-tert-butylanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(4-tert-butylanilino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(4-tert-butylanilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCC2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-18(2,3)13-7-9-14(10-8-13)20-16(22)12-21-11-5-4-6-15(21)17(19)23/h7-10,15H,4-6,11-12H2,1-3H3,(H2,19,23)(H,20,22)/p+1/t15-/m0/s1