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

Systemtic Name: 1-[(2S)-1-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-1-methyl-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-5-16-8-6-7-9-18(16)23-19(26)14-24(4)21(28)15(2)25-12-10-17(11-13-25)20(27)22-3/h6-9,15,17H,5,10-14H2,1-4H3,(H,22,27)(H,23,26)/p+1/t15-/m0/s1