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

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

Systemtic Name:4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarboximidamide
Openeye Name:4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
CAS Name:4-[3-[3-methyl-4-[(1-methyl-1-pyrrolidin-1-iumyl)-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide
IUPAC Name:4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
Traditional Name:4-[3-[3-methyl-4-(1-methylpyrrolidin-1-ium-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine
Formula: C23H27N4O+
MolecularWeight: 375.48668
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H27N4O/c1-17-16-18(7-12-21(17)23(28)27(2)14-3-4-15-27)6-5-13-26-20-10-8-19(9-11-20)22(24)25/h7-12,16,26H,3-4,13-15H2,1-2H3,(H3,24,25)/q+1


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