methyl (2R)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C24H36N5O5+ MolecularWeight: 474.57314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H35N5O5/c1-16(24(33)34-4)26-21(30)20-15-28(22(31)17-5-7-19(8-6-17)27(2)3)13-14-29(20)23(32)18-9-11-25-12-10-18/h5-8,16,18,20,25H,9-15H2,1-4H3,(H,26,30)/p+1/t16-,20-/m1/s1