N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(1H-indol-3-yl)-N-methyl-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(1H-indol-3-yl)-N-methyl-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(1H-indol-3-yl)-N-methyl-propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-(1H-indol-3-yl)-N-methylpropanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-(1H-indol-3-yl)-N-methylpropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(1H-indol-3-yl)-N-methyl-propionamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H31N3O/c1-28(26(30)13-12-21-17-27-25-11-5-4-10-24(21)25)22-9-6-14-29(18-22)23-15-19-7-2-3-8-20(19)16-23/h2-5,7-8,10-11,17,22-23,27H,6,9,12-16,18H2,1H3/p+1/t22-/m0/s1