4-cyclopropyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-piperidin-1-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-piperidin-1-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-(1-piperidyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-5-(1-piperidinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-piperidin-1-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-piperidino-1,2,4-triazole-3-thione Formula: C21H30N5S+ MolecularWeight: 384.5614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)C[NH+]4CCCC4C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3CC3)C[NH+]4CCC[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C21H29N5S/c27-21-25(16-24-15-7-10-19(24)17-8-3-1-4-9-17)22-20(26(21)18-11-12-18)23-13-5-2-6-14-23/h1,3-4,8-9,18-19H,2,5-7,10-16H2/p+1/t19-/m0/s1