(6-ethoxy-1,3-benzothiazol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: (6-ethoxy-1,3-benzothiazol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: (6-ethoxy-1,3-benzothiazol-2-yl)-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: (6-ethoxy-1,3-benzothiazol-2-yl)-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (6-ethoxy-1,3-benzothiazol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: (6-ethoxy-1,3-benzothiazol-2-yl)-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)N3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)N3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C20H27N3O2S/c1-2-25-16-6-7-17-18(14-16)26-19(21-17)20(24)23-12-8-15(9-13-23)22-10-4-3-5-11-22/h6-7,14-15H,2-5,8-13H2,1H3/p+1