2-[3-chloranyl-5-[[1-(cyclopropylmethyl)piperidin-1-ium-1-yl]methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-[[1-(cyclopropylmethyl)piperidin-1-ium-1-yl]methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-5-[[1-(cyclopropylmethyl)piperidin-1-ium-1-yl]methylamino]-2-methyl-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-5-[[1-(cyclopropylmethyl)-1-piperidin-1-iumyl]methylamino]-2-methyl-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-5-[[1-(cyclopropylmethyl)piperidin-1-ium-1-yl]methylamino]-2-methyl-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[[1-(cyclopropylmethyl)piperidin-1-ium-1-yl]methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid Formula: C17H26ClN4O3+ MolecularWeight: 369.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)O)NC[N+]2(CCCCC2)CC3CC3)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)O)NC[N+]2(CCCCC2)CC3CC3)Cl

InChI

InChI=1S/C17H25ClN4O3/c1-12-15(18)20-16(17(25)21(12)9-14(23)24)19-11-22(10-13-5-6-13)7-3-2-4-8-22/h13H,2-11H2,1H3,(H-,19,20,23,24)/p+1