N-[4-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H29N3O3/c1-18(26)23-20-7-9-22(10-8-20)28-17-21(27)16-25-13-11-24(12-14-25)15-19-5-3-2-4-6-19/h2-10,21,27H,11-17H2,1H3,(H,23,26)/p+1/t21-/m1/s1