3-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propionitrile Formula: C25H29N4O+ MolecularWeight: 401.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

InChI

InChI=1S/C25H28N4O/c1-19-7-5-10-23(20(19)2)28-15-13-27(14-16-28)18-25(30)22-17-29(12-6-11-26)24-9-4-3-8-21(22)24/h3-5,7-10,17H,6,12-16,18H2,1-2H3/p+1