methyl-(phenylmethyl)-[(3S)-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-[3-(3-thiophenyl)-1H-pyrazol-5-yl]methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-3-piperidyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC(=NN3)C4=CSC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=NN3)C4=CSC=C4

InChI

InChI=1S/C21H24N4OS/c1-24(13-16-6-3-2-4-7-16)18-8-5-10-25(14-18)21(26)20-12-19(22-23-20)17-9-11-27-15-17/h2-4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1H3,(H,22,23)/p+1/t18-/m0/s1