methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propoxyphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(4-propoxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propoxybenzoyl)amino]benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H29N3O4/c1-4-15-30-19-8-5-17(6-9-19)22(27)24-20-16-18(23(28)29-3)7-10-21(20)26-13-11-25(2)12-14-26/h5-10,16H,4,11-15H2,1-3H3,(H,24,27)/p+1