3-azanyl-4-tert-butyl-2-methyl-6-oxidanylidene-1-piperidin-4-yl-4-pyridin-4-yloxycarbonyl-piperazin-4-ium-2-carboxylic acid

Systemtic Name: 3-azanyl-4-tert-butyl-2-methyl-6-oxidanylidene-1-piperidin-4-yl-4-pyridin-4-yloxycarbonyl-piperazin-4-ium-2-carboxylic acid Openeye Name: 3-amino-4-tert-butyl-2-methyl-6-oxo-1-(4-piperidyl)-4-(4-pyridyloxycarbonyl)piperazin-4-ium-2-carboxylic acid CAS Name: 3-amino-4-tert-butyl-2-methyl-6-oxo-4-[oxo(pyridin-4-yloxy)methyl]-1-(4-piperidinyl)-2-piperazin-4-iumcarboxylic acid IUPAC Name: 3-amino-4-tert-butyl-2-methyl-6-oxo-1-piperidin-4-yl-4-pyridin-4-yloxycarbonylpiperazin-4-ium-2-carboxylic acid Traditional Name: 3-amino-4-tert-butyl-6-keto-2-methyl-1-(4-piperidyl)-4-(4-pyridyloxycarbonyl)piperazin-4-ium-2-carboxylic acid Formula: C21H32N5O5+ MolecularWeight: 434.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](CC(=O)N1C2CCNCC2)(C(=O)OC3=CC=NC=C3)C(C)(C)C)N)C(=O)O

Isomeric SMILES

CC1(C([N+](CC(=O)N1C2CCNCC2)(C(=O)OC3=CC=NC=C3)C(C)(C)C)N)C(=O)O

InChI

InChI=1S/C21H31N5O5/c1-20(2,3)26(19(30)31-15-7-11-24-12-8-15)13-16(27)25(14-5-9-23-10-6-14)21(4,17(26)22)18(28)29/h7-8,11-12,14,17,23H,5-6,9-10,13,22H2,1-4H3/p+1