2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[4-[(1S)-1-methylpropyl]phenoxy]acetamide CAS Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenoxy]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[4-[(1S)-1-methylpropyl]phenoxy]acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H31N3O2/c1-4-18(2)19-5-11-22(12-6-19)28-17-23(27)24-20-7-9-21(10-8-20)26-15-13-25(3)14-16-26/h5-12,18H,4,13-17H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1