2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1-(2-methylphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1-(2-methylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(o-tolyl)pyrrole-3-carbonitrile CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-(2-methylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(2-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(o-tolyl)pyrrole-3-carbonitrile Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CN2C3=CC=CC=C3C)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CN2C3=CC=CC=C3C)C#N

InChI

InChI=1S/C19H22N4O/c1-3-21-10-12-22(13-11-21)19(24)18-16(14-20)8-9-23(18)17-7-5-4-6-15(17)2/h4-9H,3,10-13H2,1-2H3/p+1