N-methyl-2-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzonitrilium

Systemtic Name: N-methyl-2-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzonitrilium Openeye Name: N-methyl-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrilium CAS Name: N-methyl-2-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzonitrilium IUPAC Name: N-methyl-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrilium Traditional Name: N-methyl-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrilium Formula: C23H24N3O+ MolecularWeight: 358.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C#[N+]C)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C#[N+]C)C(=O)N3CCCC3

InChI

InChI=1S/C23H23N3O/c1-18-16-19(11-12-21(18)23(27)26-14-5-6-15-26)8-7-13-25-22-10-4-3-9-20(22)17-24-2/h3-4,9-12,16H,5-6,13-15H2,1-2H3/p+1