(phenylmethyl) 2-[3-chloranyl-5-[(1-cyclopentyl-4-methyl-piperidin-1-ium-1-yl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-5-[(1-cyclopentyl-4-methyl-piperidin-1-ium-1-yl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-5-[(1-cyclopentyl-4-methyl-piperidin-1-ium-1-yl)methylamino]-2-methyl-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-5-[(1-cyclopentyl-4-methyl-1-piperidin-1-iumyl)methylamino]-2-methyl-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-5-[(1-cyclopentyl-4-methylpiperidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-[(1-cyclopentyl-4-methyl-piperidin-1-ium-1-yl)methylamino]-2-keto-6-methyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C26H36ClN4O3+ MolecularWeight: 488.04204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1)(CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C)Cl)C4CCCC4

Isomeric SMILES

CC1CC[N+](CC1)(CNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C)Cl)C4CCCC4

InChI

InChI=1S/C26H36ClN4O3/c1-19-12-14-31(15-13-19,22-10-6-7-11-22)18-28-25-26(33)30(20(2)24(27)29-25)16-23(32)34-17-21-8-4-3-5-9-21/h3-5,8-9,19,22H,6-7,10-18H2,1-2H3,(H,28,29)/q+1