(phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[(4-oxidanylpyrrolidin-1-ium-3-yl)amino]pentan-2-yl]carbamate chloride

Systemtic Name: (phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[(4-oxidanylpyrrolidin-1-ium-3-yl)amino]pentan-2-yl]carbamate chloride Openeye Name: benzyl N-[(1S)-1-[(4-hydroxypyrrolidin-1-ium-3-yl)carbamoyl]-3-methyl-butyl]carbamate chloride CAS Name: N-[(2S)-1-[(4-hydroxy-3-pyrrolidin-1-iumyl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester chloride IUPAC Name: benzyl N-[(2S)-1-[(4-hydroxypyrrolidin-1-ium-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate chloride Traditional Name: N-[(1S)-1-[(4-hydroxypyrrolidin-1-ium-3-yl)carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester chloride Formula: C18H28ClN3O4 MolecularWeight: 385.88562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1C[NH2+]CC1O)NC(=O)OCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1C[NH2+]CC1O)NC(=O)OCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H27N3O4.ClH/c1-12(2)8-14(17(23)20-15-9-19-10-16(15)22)21-18(24)25-11-13-6-4-3-5-7-13;/h3-7,12,14-16,19,22H,8-11H2,1-2H3,(H,20,23)(H,21,24);1H/t14-,15?,16?;/m0./s1