methyl N-[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C15H21N3O4/c1-11(14(20)16-15(21)22-2)17-7-9-18(10-8-17)12-5-3-4-6-13(12)19/h3-6,11,19H,7-10H2,1-2H3,(H,16,20,21)/p+1/t11-/m1/s1