(2R)-1-(4-methoxyphenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-1-(4-methoxyphenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-1-(4-methoxybenzoyl)-N-[(3S)-2-oxo-3-piperidyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-1-[(4-methoxyphenyl)-oxomethyl]-4-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2R)-1-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(3S)-2-keto-3-piperidyl]-1-p-anisoyl-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C24H34N5O5+ MolecularWeight: 472.55726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NC3CCCNC3=O)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(C[C@@H]2C(=O)N[C@H]3CCCNC3=O)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C24H33N5O5/c1-34-18-6-4-16(5-7-18)24(33)29-14-13-28(23(32)17-8-11-25-12-9-17)15-20(29)22(31)27-19-3-2-10-26-21(19)30/h4-7,17,19-20,25H,2-3,8-15H2,1H3,(H,26,30)(H,27,31)/p+1/t19-,20+/m0/s1