N-methyl-N-[4-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-methyl-N-[4-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]-N-methyl-acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]phenyl]-N-methylacetamide IUPAC Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]-N-methylacetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]-N-methyl-acetamide Formula: C17H29N3O3+2 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)C)O

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)OC[C@H](C[NH+]2CC[NH+](CC2)C)O

InChI

InChI=1S/C17H27N3O3/c1-14(21)19(3)15-4-6-17(7-5-15)23-13-16(22)12-20-10-8-18(2)9-11-20/h4-7,16,22H,8-13H2,1-3H3/p+2/t16-/m0/s1