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

Systemtic Name: 2-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]thiazole-4-carboxamide CAS Name: 2-methyl-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]-4-thiazolecarboxamide IUPAC Name: 2-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]thiazole-4-carboxamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=CS1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H29N5O2S/c1-19-27-22(18-32-19)24(30)26-11-4-16-31-21-8-6-20(7-9-21)17-28-12-14-29(15-13-28)23-5-2-3-10-25-23/h2-3,5-10,18H,4,11-17H2,1H3,(H,26,30)/p+1