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

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-isopropylbenzoyl)amino]benzoate CAS Name: 3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(cumoylamino)benzoic acid ethyl ester Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C30H35N3O3/c1-4-36-30(35)26-14-15-28(33-18-16-32(17-19-33)21-23-8-6-5-7-9-23)27(20-26)31-29(34)25-12-10-24(11-13-25)22(2)3/h5-15,20,22H,4,16-19,21H2,1-3H3,(H,31,34)/p+1