N-(2-cyclopentyl-4-methyl-pyrazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-cyclopentyl-4-methyl-pyrazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-cyclopentyl-4-methyl-pyrazol-3-yl)-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-cyclopentyl-4-methyl-3-pyrazolyl)-3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-cyclopentyl-4-methylpyrazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-cyclopentyl-4-methyl-pyrazol-3-yl)-3-[4-(m-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=NN3C4CCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=NN3C4CCCC4)C

InChI

InChI=1S/C23H33N5O/c1-18-6-5-9-21(16-18)27-14-12-26(13-15-27)11-10-22(29)25-23-19(2)17-24-28(23)20-7-3-4-8-20/h5-6,9,16-17,20H,3-4,7-8,10-15H2,1-2H3,(H,25,29)/p+1