N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(2-methylpropyl)ethanediamide

Systemtic Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N-(2-methylpropyl)ethanediamide Openeye Name: N-isobutyl-N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide CAS Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-N-(2-methylpropyl)oxamide IUPAC Name: N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-N-(2-methylpropyl)oxamide Traditional Name: N-isobutyl-N'-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]oxamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=O)NCC(C1=CC2=C(C=C1)N(CC2)C)[NH+]3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)C(=O)NC[C@@H](C1=CC2=C(C=C1)N(CC2)C)[NH+]3CCCCC3

InChI

InChI=1S/C22H34N4O2/c1-16(2)14-23-21(27)22(28)24-15-20(26-10-5-4-6-11-26)17-7-8-19-18(13-17)9-12-25(19)3/h7-8,13,16,20H,4-6,9-12,14-15H2,1-3H3,(H,23,27)(H,24,28)/p+1/t20-/m0/s1