N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3H-benzimidazole-5-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3H-benzimidazole-5-carboxamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C18H21N5OS/c1-12-3-2-6-23(8-12)9-14-10-25-18(21-14)22-17(24)13-4-5-15-16(7-13)20-11-19-15/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,19,20)(H,21,22,24)/p+1/t12-/m0/s1