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

Systemtic Name: [3-acetamido-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]methyl-[(4-methoxy-2,3-dimethyl-phenyl)methyl]azanium Openeye Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-[(4-methoxy-2,3-dimethyl-phenyl)methyl]ammonium CAS Name: [3-acetamido-5-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl-[(4-methoxy-2,3-dimethylphenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)phenyl]methyl-[(4-methoxy-2,3-dimethylphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(4-methylpiperazine-1-carbonyl)benzyl]-(4-methoxy-2,3-dimethyl-benzyl)ammonium Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCN(CC3)C)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCN(CC3)C)NC(=O)C

InChI

InChI=1S/C25H34N4O3/c1-17-18(2)24(32-5)7-6-21(17)16-26-15-20-12-22(14-23(13-20)27-19(3)30)25(31)29-10-8-28(4)9-11-29/h6-7,12-14,26H,8-11,15-16H2,1-5H3,(H,27,30)/p+1