methyl (2S)-2-[[1-(3-methylbutyl)piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-(3-methylbutyl)piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[(1-isopentylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-(3-methylbutyl)-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(3-methylbutyl)piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[(1-isoamylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetic acid methyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)C(=O)NC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H30N2O3/c1-15(2)9-12-22-13-10-17(11-14-22)19(23)21-18(20(24)25-3)16-7-5-4-6-8-16/h4-8,15,17-18H,9-14H2,1-3H3,(H,21,23)/p+1/t18-/m0/s1