[3-acetamido-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]methyl-(2,2-dimethylpropyl)azanium

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]methyl-(2,2-dimethylpropyl)azanium Openeye Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-(2,2-dimethylpropyl)ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl-(2,2-dimethylpropyl)ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-(2,2-dimethylpropyl)azanium Traditional Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)benzyl]-neopentyl-ammonium Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC(C)(C)C)C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC(C)(C)C)C(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H32N4O2/c1-15(25)22-18-11-16(13-21-14-20(2,3)4)10-17(12-18)19(26)24-8-6-23(5)7-9-24/h10-12,21H,6-9,13-14H2,1-5H3,(H,22,25)/p+1