2-methyl-N-[(2S)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzamide

Systemtic Name: 2-methyl-N-[(2S)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzamide Openeye Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-2-methylbenzamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-2-methylbenzamide Traditional Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-2-methyl-benzamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(CN2CC[NH2+]CC2)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC[C@@H](CN2CC[NH2+]CC2)O

InChI

InChI=1S/C15H23N3O2/c1-12-4-2-3-5-14(12)15(20)17-10-13(19)11-18-8-6-16-7-9-18/h2-5,13,16,19H,6-11H2,1H3,(H,17,20)/p+1/t13-/m0/s1