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

Systemtic Name: 3-[3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]indol-1-yl]propionitrile Formula: C23H24ClN4O+ MolecularWeight: 407.91586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O/c24-18-5-3-6-19(15-18)27-13-11-26(12-14-27)17-23(29)21-16-28(10-4-9-25)22-8-2-1-7-20(21)22/h1-3,5-8,15-16H,4,10-14,17H2/p+1