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

Systemtic Name: N-cycloheptyl-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3CCCCCC3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H33N3O/c1-17-9-11-20(12-10-17)24-14-13-23(15-18(24)2)16-21(25)22-19-7-5-3-4-6-8-19/h9-12,18-19H,3-8,13-16H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1