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

Systemtic Name: 3-methoxy-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]-3-methoxy-benzamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-3-methoxybenzamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-3-methoxybenzamide Traditional Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-3-methoxy-benzamide Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(CN2CC[NH2+]CC2)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC[C@@H](CN2CC[NH2+]CC2)O

InChI

InChI=1S/C15H23N3O3/c1-21-14-4-2-3-12(9-14)15(20)17-10-13(19)11-18-7-5-16-6-8-18/h2-4,9,13,16,19H,5-8,10-11H2,1H3,(H,17,20)/p+1/t13-/m0/s1