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

Systemtic Name: 1-[(2S)-1-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C20H30N4O3/c1-4-15-7-5-6-8-17(15)22-18(25)13-23(3)20(27)14(2)24-11-9-16(10-12-24)19(21)26/h5-8,14,16H,4,9-13H2,1-3H3,(H2,21,26)(H,22,25)/p+1/t14-/m0/s1