1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methyl-benzimidazole-2-thione

Systemtic Name: 1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methyl-benzimidazole-2-thione Openeye Name: 1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methyl-benzimidazole-2-thione CAS Name: 1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methyl-2-benzimidazolethione IUPAC Name: 1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methylbenzimidazole-2-thione Traditional Name: 1-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-3-methyl-benzimidazole-2-thione Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC4(CC3)OCCO4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC4(CC3)OCCO4

InChI

InChI=1S/C16H21N3O2S/c1-17-13-4-2-3-5-14(13)19(15(17)22)12-18-8-6-16(7-9-18)20-10-11-21-16/h2-5H,6-12H2,1H3/p+1