(4-methoxycarbonyl-2-methyl-phenyl)-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (4-methoxycarbonyl-2-methylphenyl)-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: (4-methoxycarbonyl-2-methylphenyl)-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: (4-carbomethoxy-2-methyl-phenyl)-[2-keto-2-(4-phenylpiperazino)ethyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-16-14-17(21(26)27-2)8-9-19(16)22-15-20(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,22H,10-13,15H2,1-2H3/p+1