2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-[2-[(1S)-1-oxidanylethyl]phenyl]ethanamide

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-[2-[(1S)-1-oxidanylethyl]phenyl]ethanamide Openeye Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(C)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[C@H](C)O

InChI

InChI=1S/C21H27N3O2/c1-16-6-5-7-18(14-16)24-12-10-23(11-13-24)15-21(26)22-20-9-4-3-8-19(20)17(2)25/h3-9,14,17,25H,10-13,15H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1