methyl 3-(2,2-diphenylethanoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-(2,2-diphenylethanoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(2,2-diphenylacetyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[(1-oxo-2,2-diphenylethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,2-diphenylacetyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(2,2-diphenylacetyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-29-15-17-30(18-16-29)24-14-13-22(27(32)33-2)19-23(24)28-26(31)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3,(H,28,31)/p+1