N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-3-phenylpropanamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propionamide Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)CCC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)CCC3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H33N3O/c1-27-17-14-22-18-21(11-12-23(22)27)24(28-15-6-3-7-16-28)19-26-25(29)13-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-12,18,24H,3,6-7,10,13-17,19H2,1H3,(H,26,29)/p+1/t24-/m0/s1