5-(2-ethylsulfonylethyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 5-(2-ethylsulfonylethyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 5-(2-ethylsulfonylethyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 5-(2-ethylsulfonylethyl)-3-[[1-(1-phenylethyl)-1-pyrrolidin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-(2-ethylsulfonylethyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 5-(2-esylethyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole Formula: C25H33N2O2S+ MolecularWeight: 425.60672

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C[N+]3(CCCC3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C[N+]3(CCCC3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C25H33N2O2S/c1-3-30(28,29)16-13-21-11-12-25-24(17-21)23(18-26-25)19-27(14-7-8-15-27)20(2)22-9-5-4-6-10-22/h4-6,9-12,17-18,20,26H,3,7-8,13-16,19H2,1-2H3/q+1