2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-3-ium Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-3-ium CAS Name: 2-[(4-ethoxyphenyl)thio]-3-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazol-3-ium IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-3-ium Traditional Name: 2-(p-phenetylthio)-3-(2-pyrrolidinoethyl)-1H-benzimidazol-3-ium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CCN4CCCC4

InChI

InChI=1S/C21H25N3OS/c1-2-25-17-9-11-18(12-10-17)26-21-22-19-7-3-4-8-20(19)24(21)16-15-23-13-5-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1