N'-(2-methoxy-5-methyl-phenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanediamide

Systemtic Name: N'-(2-methoxy-5-methyl-phenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanediamide Openeye Name: N'-(2-methoxy-5-methyl-phenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]oxamide Traditional Name: N'-(2-methoxy-5-methyl-phenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-19-9-12-25(34-3)22(16-19)29-27(33)26(32)28-18-24(31-14-5-4-6-15-31)21-10-11-23-20(17-21)8-7-13-30(23)2/h9-12,16-17,24H,4-8,13-15,18H2,1-3H3,(H,28,32)(H,29,33)/p+1/t24-/m1/s1