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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

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