dimethyl (2R)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanedioate

Systemtic Name: dimethyl (2R)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanedioate Openeye Name: dimethyl (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)butanedioate CAS Name: (2R)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)butanedioate Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)succinic acid dimethyl ester Formula: C17H26N2O4+2 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H](C(=O)OC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4/c1-22-16(20)12-15(17(21)23-2)19-10-8-18(9-11-19)13-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3/p+2/t15-/m1/s1