N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamide Openeye Name: N-methyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide CAS Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3C

Isomeric SMILES

CCCC1=NNC(=C1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3C

InChI

InChI=1S/C22H31N5O2/c1-4-7-18-12-19(25-24-18)15-26(3)21(28)13-20-22(29)23-10-11-27(20)14-17-9-6-5-8-16(17)2/h5-6,8-9,12,20H,4,7,10-11,13-15H2,1-3H3,(H,23,29)(H,24,25)/p+1/t20-/m1/s1