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

Systemtic Name: N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylphenyl)ethanediamide Openeye Name: N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(m-tolyl)oxamide CAS Name: N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidin-1-iumyl)ethyl]-N'-(3-methylphenyl)oxamide IUPAC Name: N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]-N'-(3-methylphenyl)oxamide Traditional Name: N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(m-tolyl)oxamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

InChI

InChI=1S/C26H34N4O2/c1-19-8-6-10-22(16-19)28-26(32)25(31)27-18-24(30-14-4-3-5-15-30)21-11-12-23-20(17-21)9-7-13-29(23)2/h6,8,10-12,16-17,24H,3-5,7,9,13-15,18H2,1-2H3,(H,27,31)(H,28,32)/p+1/t24-/m1/s1