N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indole-2-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,6,6-trimethyl-5,7-dihydro-1H-indole-2-carboxamide Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C26H35N3O3/c1-17-23-20(14-26(2,3)15-22(23)30)28-24(17)25(31)27-16-21(29-12-6-5-7-13-29)18-8-10-19(32-4)11-9-18/h8-11,21,28H,5-7,12-16H2,1-4H3,(H,27,31)/p+1/t21-/m0/s1