2-pyridin-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-pyridin-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 2-(3-pyridyl)-4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]quinazoline CAS Name: 2-(3-pyridinyl)-4-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 2-pyridin-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]quinazoline Traditional Name: 2-(3-pyridyl)-4-[4-(2-thenyl)piperazin-4-ium-1-yl]quinazoline Formula: C22H22N5S+ MolecularWeight: 388.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H21N5S/c1-2-8-20-19(7-1)22(25-21(24-20)17-5-3-9-23-15-17)27-12-10-26(11-13-27)16-18-6-4-14-28-18/h1-9,14-15H,10-13,16H2/p+1