(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CN(N=C2)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CN(N=C2)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H27N5O2/c1-18(30)27-22-12-19(11-21(13-22)24(31)28-9-5-6-10-28)14-25-15-20-16-26-29(17-20)23-7-3-2-4-8-23/h2-4,7-8,11-13,16-17,25H,5-6,9-10,14-15H2,1H3,(H,27,30)/p+1