benzenesulfonic acid; 1-ethyl-N,N-dimethyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium-4-amine

Systemtic Name: benzenesulfonic acid; 1-ethyl-N,N-dimethyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium-4-amine Openeye Name: benzenesulfonic acid; 1-ethyl-N,N-dimethyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium-4-amine CAS Name: benzenesulfonic acid; 1-ethyl-N,N-dimethyl-3-(phenylthio)-5-(3-propoxyphenyl)-4-pyridin-1-iumamine IUPAC Name: benzenesulfonic acid; 1-ethyl-N,N-dimethyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium-4-amine Traditional Name: besylic acid; [1-ethyl-3-(phenylthio)-5-(3-propoxyphenyl)pyridin-1-ium-4-yl]-dimethyl-amine Formula: C30H35N2O4S2+ MolecularWeight: 551.7399

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2N(C)C)SC3=CC=CC=C3)CC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2N(C)C)SC3=CC=CC=C3)CC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H29N2OS.C6H6O3S/c1-5-15-27-20-12-10-11-19(16-20)22-17-26(6-2)18-23(24(22)25(3)4)28-21-13-8-7-9-14-21;7-10(8,9)6-4-2-1-3-5-6/h7-14,16-18H,5-6,15H2,1-4H3;1-5H,(H,7,8,9)/q+1;