6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-2-benzimidazolyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCCC5)O

InChI

InChI=1S/C26H29N3O3/c1-4-17-14-18-24(31)22(26-27-20-10-6-7-11-21(20)28(26)3)16(2)32-25(18)19(23(17)30)15-29-12-8-5-9-13-29/h6-7,10-11,14,30H,4-5,8-9,12-13,15H2,1-3H3/p+1