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

Systemtic Name: methyl (2S)-3-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]butanoate Openeye Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-14(2)17(18(23)25-3)21-19(24)20-16-9-11-22(12-10-16)13-15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3,(H2,20,21,24)/p+1/t17-/m0/s1