2-(azepan-1-ium-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(1S)-1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]ethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(1S)-1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]acetamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(C)NC(=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)[C@H](C)NC(=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C21H30N4O/c1-16-10-6-7-11-20(16)25-18(3)19(14-22-25)17(2)23-21(26)15-24-12-8-4-5-9-13-24/h6-7,10-11,14,17H,4-5,8-9,12-13,15H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1