N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]-3-phenoxy-propanamide

Systemtic Name: N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]-3-phenoxy-propanamide Openeye Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-3-phenoxy-propanamide CAS Name: N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-3-phenoxypropanamide IUPAC Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-3-phenoxypropanamide Traditional Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-3-phenoxy-propionamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC(CNC(=O)CCOC2=CC=CC=C2)O

Isomeric SMILES

C1CN(CC[NH2+]1)C[C@@H](CNC(=O)CCOC2=CC=CC=C2)O

InChI

InChI=1S/C16H25N3O3/c20-14(13-19-9-7-17-8-10-19)12-18-16(21)6-11-22-15-4-2-1-3-5-15/h1-5,14,17,20H,6-13H2,(H,18,21)/p+1/t14-/m1/s1