2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethyl-methyl-pyrrolidin-2-ylidene-azanium

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethyl-methyl-pyrrolidin-2-ylidene-azanium Openeye Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethyl-methyl-pyrrolidin-2-ylidene-ammonium CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]thio]ethyl-methyl-(2-pyrrolidinylidene)ammonium IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethyl-methyl-pyrrolidin-2-ylideneazanium Traditional Name: 2-[[1-(4-chlorobenzyl)indol-3-yl]thio]ethyl-methyl-pyrrolidin-2-ylidene-ammonium Formula: C22H25ClN3S+ MolecularWeight: 398.972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1CCCN1)CCSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[N+](=C1CCCN1)CCSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3S/c1-25(22-7-4-12-24-22)13-14-27-21-16-26(20-6-3-2-5-19(20)21)15-17-8-10-18(23)11-9-17/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3/p+1