[3-[(4-methylphenyl)carbonylamino]phenyl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium

Systemtic Name: [3-[(4-methylphenyl)carbonylamino]phenyl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: [3-[(4-methylbenzoyl)amino]phenyl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [3-[(4-methylbenzoyl)amino]phenyl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: 3-(2-ketopyrrolidino)propyl-[3-(p-toluoylamino)benzyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C[NH2+]CCCN3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C[NH2+]CCCN3CCCC3=O

InChI

InChI=1S/C22H27N3O2/c1-17-8-10-19(11-9-17)22(27)24-20-6-2-5-18(15-20)16-23-12-4-14-25-13-3-7-21(25)26/h2,5-6,8-11,15,23H,3-4,7,12-14,16H2,1H3,(H,24,27)/p+1