methyl (2S,3S)-3-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]pentanoate Openeye Name: methyl (2S,3S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methyl-valeric acid methyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-4-15(2)18(19(24)26-3)22-20(25)21-17-10-12-23(13-11-17)14-16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-14H2,1-3H3,(H2,21,22,25)/p+1/t15-,18-/m0/s1