1-[2-[[(2R,4S)-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-phenyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(2R,4S)-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-phenyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)C)N(C3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

C[C@@H]1C[C@@H](C2=CC=CC=C2N1C(=O)C)N(C3=CC=CC=C3)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C26H32N4O3/c1-18-16-24(22-10-6-7-11-23(22)29(18)19(2)31)30(21-8-4-3-5-9-21)25(32)17-28-14-12-20(13-15-28)26(27)33/h3-11,18,20,24H,12-17H2,1-2H3,(H2,27,33)/p+1/t18-,24+/m1/s1