cyclopentyl-bis[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

Systemtic Name: cyclopentyl-bis[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium Openeye Name: cyclopentyl-bis[[2-(4-ethoxyphenyl)thiazol-4-yl]methyl]ammonium CAS Name: cyclopentyl-bis[[2-(4-ethoxyphenyl)-4-thiazolyl]methyl]ammonium IUPAC Name: cyclopentyl-bis[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium Traditional Name: cyclopentyl-bis[(2-p-phenetylthiazol-4-yl)methyl]ammonium Formula: C29H34N3O2S2+ MolecularWeight: 520.72916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+](CC3=CSC(=N3)C4=CC=C(C=C4)OCC)C5CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+](CC3=CSC(=N3)C4=CC=C(C=C4)OCC)C5CCCC5

InChI

InChI=1S/C29H33N3O2S2/c1-3-33-26-13-9-21(10-14-26)28-30-23(19-35-28)17-32(25-7-5-6-8-25)18-24-20-36-29(31-24)22-11-15-27(16-12-22)34-4-2/h9-16,19-20,25H,3-8,17-18H2,1-2H3/p+1