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

Systemtic Name: N-methyl-N-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]-N-methyl-acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]phenyl]-N-methylacetamide IUPAC Name: N-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide Traditional Name: N-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]-N-methyl-acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-19(27)24(2)21-8-10-23(11-9-21)29-18-22(28)17-26-14-12-25(13-15-26)16-20-6-4-3-5-7-20/h3-11,22,28H,12-18H2,1-2H3/p+1/t22-/m0/s1