(E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-(1-methylpiperazin-1-ium-1-yl)hept-2-enoic acid

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-(1-methylpiperazin-1-ium-1-yl)hept-2-enoic acid Openeye Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(1-methylpiperazin-1-ium-1-yl)hept-2-enoic acid CAS Name: (E)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-(1-methyl-1-piperazin-1-iumyl)-2-heptenoic acid IUPAC Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(1-methylpiperazin-1-ium-1-yl)hept-2-enoic acid Traditional Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(1-methylpiperazin-1-ium-1-yl)hept-2-enoic acid Formula: C18H32N3O3+ MolecularWeight: 338.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O3/c1-18(2)13-14(18)16(22)20-15(17(23)24)7-5-4-6-10-21(3)11-8-19-9-12-21/h7,14,19H,4-6,8-13H2,1-3H3,(H-,20,22,23,24)/p+1/b15-7+