N,N-dimethyl-5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N,N-dimethyl-5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiophene-2-carboxamide Openeye Name: N,N-dimethyl-5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiophene-2-carboxamide CAS Name: N,N-dimethyl-5-[3-[1-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyrazolyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N,N-dimethyl-5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiophene-2-carboxamide Traditional Name: N,N-dimethyl-5-[3-[1-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyrazol-3-yl]phenyl]thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(S1)C2=CC=CC(=C2)C3=NN(C=C3)CC4CC[NH2+]C4

Isomeric SMILES

CN(C)C(=O)C1=CC=C(S1)C2=CC=CC(=C2)C3=NN(C=C3)C[C@H]4CC[NH2+]C4

InChI

InChI=1S/C21H24N4OS/c1-24(2)21(26)20-7-6-19(27-20)17-5-3-4-16(12-17)18-9-11-25(23-18)14-15-8-10-22-13-15/h3-7,9,11-12,15,22H,8,10,13-14H2,1-2H3/p+1/t15-/m0/s1