4-cyclohexylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline

Systemtic Name: 4-cyclohexylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Openeye Name: 4-cyclohexylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline CAS Name: 4-(cyclohexylthio)-2-(1-pyrrolidin-1-iumylmethyl)quinazoline IUPAC Name: 4-cyclohexylsulfanyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Traditional Name: 4-(cyclohexylthio)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazoline Formula: C19H26N3S+ MolecularWeight: 328.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

C1CCC(CC1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C19H25N3S/c1-2-8-15(9-3-1)23-19-16-10-4-5-11-17(16)20-18(21-19)14-22-12-6-7-13-22/h4-5,10-11,15H,1-3,6-9,12-14H2/p+1