(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-(1-methylpiperazin-1-ium-1-yl)oct-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-8-(1-methylpiperazin-1-ium-1-yl)oct-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(1-methylpiperazin-1-ium-1-yl)oct-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-8-(1-methyl-1-piperazin-1-iumyl)-2-octenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(1-methylpiperazin-1-ium-1-yl)oct-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(1-methylpiperazin-1-ium-1-yl)oct-2-enoic acid Formula: C19H34N3O3+ MolecularWeight: 352.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCC[N+]2(CCNCC2)C)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCC[N+]2(CCNCC2)C)/C(=O)O)C

InChI

InChI=1S/C19H33N3O3/c1-19(2)14-15(19)17(23)21-16(18(24)25)8-6-4-5-7-11-22(3)12-9-20-10-13-22/h8,15,20H,4-7,9-14H2,1-3H3,(H-,21,23,24,25)/p+1/b16-8-