methyl (2R)-2-[[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(4-cyanophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(4-cyanobenzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H29N3O3/c1-15(2)12-19(21(26)27-3)23-20(25)18-8-10-24(11-9-18)14-17-6-4-16(13-22)5-7-17/h4-7,15,18-19H,8-12,14H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1