N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-methoxy-1,2-dimethyl-indole-3-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-methoxy-1,2-dimethyl-indole-3-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-methoxy-1,2-dimethyl-indole-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-5-methoxy-1,2-dimethyl-3-indolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-5-methoxy-1,2-dimethylindole-3-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-methoxy-1,2-dimethyl-indole-3-carboxamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)NC3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)N[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C26H31N3O2/c1-17-25(23-15-22(31-3)10-11-24(23)28(17)2)26(30)27-20-9-6-12-29(16-20)21-13-18-7-4-5-8-19(18)14-21/h4-5,7-8,10-11,15,20-21H,6,9,12-14,16H2,1-3H3,(H,27,30)/p+1/t20-/m0/s1