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

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]adamantane-1-carboxamide Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C34CC5CC(C3)CC(C5)C4)[NH+]6CCCCC6

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C34CC5CC(C3)CC(C5)C4)[NH+]6CCCCC6

InChI

InChI=1S/C27H39N3O/c1-29-10-7-23-14-22(5-6-24(23)29)25(30-8-3-2-4-9-30)18-28-26(31)27-15-19-11-20(16-27)13-21(12-19)17-27/h5-6,14,19-21,25H,2-4,7-13,15-18H2,1H3,(H,28,31)/p+1/t19?,20?,21?,25-,27?/m0/s1