(2S)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]propionamide Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)C(C)C(=O)NC3=CC=NN3C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=NN3C(C)C

InChI

InChI=1S/C21H31N5O/c1-16(2)26-20(8-9-22-26)23-21(27)18(4)25-12-10-24(11-13-25)15-19-7-5-6-17(3)14-19/h5-9,14,16,18H,10-13,15H2,1-4H3,(H,23,27)/p+1/t18-/m0/s1