(2S)-2-methyl-1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]indoline-5-carboxamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H29N3O3S/c1-17-13-21-14-20(9-10-22(21)26(17)30(2,28)29)23(27)24-15-18-5-7-19(8-6-18)16-25-11-3-4-12-25/h5-10,14,17H,3-4,11-13,15-16H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1