1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione

Systemtic Name: 1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione Openeye Name: 1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione CAS Name: 1-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione IUPAC Name: 1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione Traditional Name: 1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzimidazole-2-thione Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C18H23N3S/c22-18-20(14-19-12-6-7-13-19)16-10-4-5-11-17(16)21(18)15-8-2-1-3-9-15/h1-3,8-9H,4-7,10-14H2/p+1