N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-(morpholin-4-ium-4-ylmethyl)benzyl]-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=CC=C(C=C4)C[NH+]5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4=CC=C(C=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C22H26N4OS/c1-2-4-19-18(3-1)20-21(24-15-25-22(20)28-19)23-13-16-5-7-17(8-6-16)14-26-9-11-27-12-10-26/h5-8,15H,1-4,9-14H2,(H,23,24,25)/p+1