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

Systemtic Name: 2-[4-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(2R)-2-methyl-3-(1-pyrazolyl)propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Formula: C19H26N5S+ MolecularWeight: 356.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3S2)CN4C=CC=N4

Isomeric SMILES

C[C@H](C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3S2)CN4C=CC=N4

InChI

InChI=1S/C19H25N5S/c1-16(15-24-11-4-8-20-24)14-22-9-5-10-23(13-12-22)19-21-17-6-2-3-7-18(17)25-19/h2-4,6-8,11,16H,5,9-10,12-15H2,1H3/p+1/t16-/m1/s1