6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]amine Formula: C18H22N3OS2+ MolecularWeight: 360.51678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NCC3=CC(=CS3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NCC3=CC(=CS3)C[NH+]4CCCC4

InChI

InChI=1S/C18H21N3OS2/c1-22-14-4-5-16-17(9-14)24-18(20-16)19-10-15-8-13(12-23-15)11-21-6-2-3-7-21/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,20)/p+1