3-[3-(3-methylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole

Systemtic Name: 3-[3-(3-methylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Openeye Name: 3-[3-(3-methyl-2-thienyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole CAS Name: 3-[3-(3-methyl-2-thiophenyl)phenyl]-1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]pyrazole IUPAC Name: 3-[3-(3-methylthiophen-2-yl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Traditional Name: 3-[3-(3-methyl-2-thienyl)phenyl]-1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazole Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=CC=CC(=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CC1=C(SC=C1)C2=CC=CC(=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C19H21N3S/c1-14-7-10-23-19(14)17-4-2-3-16(11-17)18-6-9-22(21-18)13-15-5-8-20-12-15/h2-4,6-7,9-11,15,20H,5,8,12-13H2,1H3/p+1/t15-/m0/s1