2-[4-(4-pyrrolidin-1-ium-1-ylbutyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(4-pyrrolidin-1-ium-1-ylbutyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(4-pyrrolidin-1-ium-1-ylbutyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[4-(1-pyrrolidin-1-iumyl)butyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-(4-pyrrolidin-1-ium-1-ylbutyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-pyrrolidin-1-ium-1-ylbutyl)-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Formula: C20H32N4S+2 MolecularWeight: 360.55988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCC[NH+]2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CCCC[NH+]2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H30N4S/c1-2-9-19-18(8-1)21-20(25-19)24-15-7-14-23(16-17-24)13-6-5-12-22-10-3-4-11-22/h1-2,8-9H,3-7,10-17H2/p+2