4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 4-[3-[3-methyl-4-[(1-methyl-1-pyrrolidin-1-iumyl)-oxomethyl]phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C#N)C(=O)[N+]3(CCCC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C#N)C(=O)[N+]3(CCCC3)C

InChI

InChI=1S/C23H24N3O/c1-18-16-19(6-5-13-25-21-10-7-20(17-24)8-11-21)9-12-22(18)23(27)26(2)14-3-4-15-26/h7-12,16,25H,3-4,13-15H2,1-2H3/q+1