methyl (2R)-2-cyclopentyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate

Systemtic Name: methyl (2R)-2-cyclopentyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanoate Openeye Name: methyl (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-3-oxo-propanoate CAS Name: (2R)-2-cyclopentyl-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-3-oxopropanoate Traditional Name: (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyclopentyl-3-keto-propionic acid methyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1CCCC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N2O3/c1-25-20(24)18(17-9-5-6-10-17)19(23)22-13-11-21(12-14-22)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/p+1/t18-/m1/s1