1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]indole-3-carbonitrile

Systemtic Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]indole-3-carbonitrile Openeye Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]indole-3-carbonitrile CAS Name: 1-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-indolecarbonitrile IUPAC Name: 1-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]indole-3-carbonitrile Traditional Name: 1-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]indole-3-carbonitrile Formula: C16H19N4O+ MolecularWeight: 283.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C16H18N4O/c1-18-6-8-19(9-7-18)16(21)12-20-11-13(10-17)14-4-2-3-5-15(14)20/h2-5,11H,6-9,12H2,1H3/p+1