N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]thiazole-5-carboxamide CAS Name: N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]-5-thiazolecarboxamide IUPAC Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]thiazole-5-carboxamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OCCCNC(=O)C3=CN=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OCCCNC(=O)C3=CN=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H27N5O2S/c29-23(21-16-24-18-31-21)26-10-3-15-30-20-7-5-19(6-8-20)17-27-11-13-28(14-12-27)22-4-1-2-9-25-22/h1-2,4-9,16,18H,3,10-15,17H2,(H,26,29)/p+1