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

Systemtic Name: 3-[3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propionitrile Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H28N4O2/c1-2-31-25-11-6-5-10-23(25)28-16-14-27(15-17-28)19-24(30)21-18-29(13-7-12-26)22-9-4-3-8-20(21)22/h3-6,8-11,18H,2,7,13-17,19H2,1H3/p+1