6-[4,4-bis(2-ethoxy-2-phenyl-ethyl)piperazin-4-ium-1-yl]sulfonyl-N-(phenylmethyl)quinazolin-4-amine

Systemtic Name: 6-[4,4-bis(2-ethoxy-2-phenyl-ethyl)piperazin-4-ium-1-yl]sulfonyl-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-6-[4,4-bis(2-ethoxy-2-phenyl-ethyl)piperazin-4-ium-1-yl]sulfonyl-quinazolin-4-amine CAS Name: 6-[[4,4-bis(2-ethoxy-2-phenylethyl)-1-piperazin-4-iumyl]sulfonyl]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-6-[4,4-bis(2-ethoxy-2-phenylethyl)piperazin-4-ium-1-yl]sulfonylquinazolin-4-amine Traditional Name: benzyl-[6-[4,4-bis(2-ethoxy-2-phenyl-ethyl)piperazin-4-ium-1-yl]sulfonylquinazolin-4-yl]amine Formula: C39H46N5O4S+ MolecularWeight: 680.87864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C[N+]1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN=C3NCC4=CC=CC=C4)CC(C5=CC=CC=C5)OCC)C6=CC=CC=C6

Isomeric SMILES

CCOC(C[N+]1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN=C3NCC4=CC=CC=C4)CC(C5=CC=CC=C5)OCC)C6=CC=CC=C6

InChI

InChI=1S/C39H46N5O4S/c1-3-47-37(32-16-10-6-11-17-32)28-44(29-38(48-4-2)33-18-12-7-13-19-33)24-22-43(23-25-44)49(45,46)34-20-21-36-35(26-34)39(42-30-41-36)40-27-31-14-8-5-9-15-31/h5-21,26,30,37-38H,3-4,22-25,27-29H2,1-2H3,(H,40,41,42)/q+1