methyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoate CAS Name: 3-[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoic acid methyl ester Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-21(2)36-25-11-7-10-23(18-25)28(33)30-26-19-24(29(34)35-3)12-13-27(26)32-16-14-31(15-17-32)20-22-8-5-4-6-9-22/h4-13,18-19,21H,14-17,20H2,1-3H3,(H,30,33)/p+1