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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O2/c1-16-7-9-19(10-8-16)24-12-11-23(14-17(24)2)15-21(25)22-18-5-4-6-20(13-18)26-3/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1