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

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3OS/c1-24-17-9-7-16(8-10-17)15-22-11-4-12-23(14-13-22)20-21-18-5-2-3-6-19(18)25-20/h2-3,5-10H,4,11-15H2,1H3/p+1