methyl (2R)-2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2CCC=CC2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CC[NH+](CC1)C[C@H]2CCC=CC2

InChI

InChI=1S/C20H34N2O3/c1-15(2)13-18(20(24)25-3)21-19(23)17-9-11-22(12-10-17)14-16-7-5-4-6-8-16/h4-5,15-18H,6-14H2,1-3H3,(H,21,23)/p+1/t16-,18-/m1/s1