4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-7-chloranyl-quinazoline

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-7-chloranyl-quinazoline Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-7-chloro-quinazoline CAS Name: 4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-7-chloroquinazoline IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-7-chloroquinazoline Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-7-chloro-quinazoline Formula: C21H20ClN4S+ MolecularWeight: 395.9283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=NC=NC5=C4C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=NC=NC5=C4C=CC(=C5)Cl

InChI

InChI=1S/C21H19ClN4S/c22-16-5-6-18-19(11-16)23-14-24-21(18)26-9-7-25(8-10-26)12-15-13-27-20-4-2-1-3-17(15)20/h1-6,11,13-14H,7-10,12H2/p+1