3-[3-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]prop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-prop-1-enyl]indol-1-yl]propionitrile Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H26N4O/c26-13-6-14-29-20-22(23-9-4-5-10-24(23)29)11-12-25(30)28-17-15-27(16-18-28)19-21-7-2-1-3-8-21/h1-5,7-12,20H,6,14-19H2/p+1/b12-11+