2-hexoxy-N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 2-hexoxy-N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 2-hexoxy-N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]benzamide CAS Name: 2-hexoxy-N-[5-[(4-phenyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]benzamide IUPAC Name: 2-hexoxy-N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 2-hexoxy-N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]benzamide Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC2=NC=C(S2)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC2=NC=C(S2)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2S/c1-2-3-4-10-19-33-26-14-9-8-13-25(26)27(32)30-28-29-20-24(34-28)21-31-17-15-23(16-18-31)22-11-6-5-7-12-22/h5-9,11-14,20,23H,2-4,10,15-19,21H2,1H3,(H,29,30,32)/p+1