2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-1-piperidino-ethanone Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C20H26N4O2S/c25-19(24-8-4-1-5-9-24)15-27-20-16-6-2-3-7-17(16)21-18(22-20)14-23-10-12-26-13-11-23/h2-3,6-7H,1,4-5,8-15H2/p+1