N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]methanamine hydrochloride

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]methanamine hydrochloride Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(4-pyridylmethoxy)phenyl]methanamine hydrochloride CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]methanamine hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]methanamine hydrochloride Traditional Name: 1,3-benzothiazol-2-ylmethyl-[4-(4-pyridylmethoxy)benzyl]amine hydrochloride Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNCC3=CC=C(C=C3)OCC4=CC=NC=C4.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNCC3=CC=C(C=C3)OCC4=CC=NC=C4.Cl

InChI

InChI=1S/C21H19N3OS.ClH/c1-2-4-20-19(3-1)24-21(26-20)14-23-13-16-5-7-18(8-6-16)25-15-17-9-11-22-12-10-17;/h1-12,23H,13-15H2;1H