2-[4-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C18H27N4S+ MolecularWeight: 331.49878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CN2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCC[C@H]1CN2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H26N4S/c1-20-9-4-6-15(20)14-21-10-5-11-22(13-12-21)18-19-16-7-2-3-8-17(16)23-18/h2-3,7-8,15H,4-6,9-14H2,1H3/p+1/t15-/m0/s1