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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(CN2CC[NH2+]CC2)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@@H](CN2CC[NH2+]CC2)O

InChI

InChI=1S/C15H23N3O2/c1-12-2-4-13(5-3-12)15(20)17-10-14(19)11-18-8-6-16-7-9-18/h2-5,14,16,19H,6-11H2,1H3,(H,17,20)/p+1/t14-/m0/s1