3-[3-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]prop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)prop-1-enyl]indol-1-yl]propionitrile Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C23H23N5O/c24-11-5-13-28-18-19(20-6-1-2-7-21(20)28)9-10-23(29)27-16-14-26(15-17-27)22-8-3-4-12-25-22/h1-4,6-10,12,18H,5,13-17H2/p+1/b10-9+