N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide Formula: C27H36N5O3+ MolecularWeight: 478.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

InChI

InChI=1S/C27H35N5O3/c1-19(33)29-22-9-6-10-23(17-22)30-27(35)26(34)28-18-25(32-14-4-3-5-15-32)21-11-12-24-20(16-21)8-7-13-31(24)2/h6,9-12,16-17,25H,3-5,7-8,13-15,18H2,1-2H3,(H,28,34)(H,29,33)(H,30,35)/p+1/t25-/m1/s1