[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [(2S)-2-methylindolin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [(2S)-2-methylindolin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C22H26N2O/c1-17-15-20-7-3-4-8-21(20)24(17)22(25)19-11-9-18(10-12-19)16-23-13-5-2-6-14-23/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1/t17-/m0/s1