4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine

Systemtic Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine Openeye Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine CAS Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine IUPAC Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine Traditional Name: 4-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-ium-1-yl]butyl]morpholine Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CCCCN4CCOCC4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC3=CC=CC=C3S2)CCCCN4CCOCC4

InChI

InChI=1S/C20H30N4OS/c1-2-7-19-18(6-1)21-20(26-19)24-11-5-10-22(12-13-24)8-3-4-9-23-14-16-25-17-15-23/h1-2,6-7H,3-5,8-17H2/p+1