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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NC[C@H](C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4

InChI

InChI=1S/C27H36N4O3/c1-3-34-23-12-10-22(11-13-23)29-27(33)26(32)28-19-25(31-16-5-4-6-17-31)21-9-14-24-20(18-21)8-7-15-30(24)2/h9-14,18,25H,3-8,15-17,19H2,1-2H3,(H,28,32)(H,29,33)/p+1/t25-/m1/s1