4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-(3-thienyl)quinazoline CAS Name: 4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]-2-(3-thienyl)quinazoline Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H27N5S/c1-2-6-20-19(5-1)22(24-21(23-20)18-7-16-28-17-18)27-14-12-26(13-15-27)11-10-25-8-3-4-9-25/h1-2,5-7,16-17H,3-4,8-15H2/p+1