[4-(2-methyl-2-oxidanyl-propanoyl)-1-(phenylmethyl)piperazin-1-ium-1-yl]carbamic acid

Systemtic Name: [4-(2-methyl-2-oxidanyl-propanoyl)-1-(phenylmethyl)piperazin-1-ium-1-yl]carbamic acid Openeye Name: [1-benzyl-4-(2-hydroxy-2-methyl-propanoyl)piperazin-1-ium-1-yl]carbamic acid CAS Name: [4-(2-hydroxy-2-methyl-1-oxopropyl)-1-(phenylmethyl)-1-piperazin-1-iumyl]carbamic acid IUPAC Name: [1-benzyl-4-(2-hydroxy-2-methylpropanoyl)piperazin-1-ium-1-yl]carbamic acid Traditional Name: [1-benzyl-4-(2-hydroxy-2-methyl-propanoyl)piperazin-1-ium-1-yl]carbamic acid Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[N+](CC1)(CC2=CC=CC=C2)NC(=O)O)O

Isomeric SMILES

CC(C)(C(=O)N1CC[N+](CC1)(CC2=CC=CC=C2)NC(=O)O)O

InChI

InChI=1S/C16H23N3O4/c1-16(2,23)14(20)18-8-10-19(11-9-18,17-15(21)22)12-13-6-4-3-5-7-13/h3-7,17,23H,8-12H2,1-2H3/p+1