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

Systemtic Name: N-methyl-N-[4-[(2S)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-N-methyl-acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propoxy]phenyl]-N-methylacetamide IUPAC Name: N-[4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-N-methylacetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-N-methyl-acetamide Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C21H28N4O3/c1-17(26)23(2)18-6-8-20(9-7-18)28-16-19(27)15-24-11-13-25(14-12-24)21-5-3-4-10-22-21/h3-10,19,27H,11-16H2,1-2H3/p+2/t19-/m0/s1