methyl (2R,4R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-2,4-diphenyl-cyclobutane-1-carboxylate

Systemtic Name: methyl (2R,4R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-2,4-diphenyl-cyclobutane-1-carboxylate Openeye Name: methyl (2R,4R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-2,4-diphenyl-cyclobutanecarboxylate CAS Name: (2R,4R)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2,4-diphenyl-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate Traditional Name: (2R,4R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-2,4-diphenyl-cyclobutanecarboxylic acid methyl ester Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2[C@H](C([C@@H]2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-25-13-15-26(16-14-25)23(27)21-19(17-9-5-3-6-10-17)22(24(28)29-2)20(21)18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/p+1/t19-,20-,21?,22?/m1/s1