2-[4-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[[(3R)-1-ethyl-3-pyrrolidin-1-iumyl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C19H29N4S+ MolecularWeight: 345.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)CN2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)CN2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H28N4S/c1-2-21-11-8-16(14-21)15-22-9-5-10-23(13-12-22)19-20-17-6-3-4-7-18(17)24-19/h3-4,6-7,16H,2,5,8-15H2,1H3/p+1/t16-/m0/s1