(S)-[1-[(2-methyl-1-benzofuran-5-yl)methyl]piperidin-1-ium-4-yl]-(1-methylimidazol-2-yl)methanol

Systemtic Name: (S)-[1-[(2-methyl-1-benzofuran-5-yl)methyl]piperidin-1-ium-4-yl]-(1-methylimidazol-2-yl)methanol Openeye Name: (S)-[1-[(2-methylbenzofuran-5-yl)methyl]piperidin-1-ium-4-yl]-(1-methylimidazol-2-yl)methanol CAS Name: (S)-[1-[(2-methyl-5-benzofuranyl)methyl]-4-piperidin-1-iumyl]-(1-methyl-2-imidazolyl)methanol IUPAC Name: (S)-[1-[(2-methyl-1-benzofuran-5-yl)methyl]piperidin-1-ium-4-yl]-(1-methylimidazol-2-yl)methanol Traditional Name: (S)-[1-[(2-methylbenzofuran-5-yl)methyl]piperidin-1-ium-4-yl]-(1-methylimidazol-2-yl)methanol Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)C[NH+]3CCC(CC3)C(C4=NC=CN4C)O

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)C[NH+]3CCC(CC3)[C@@H](C4=NC=CN4C)O

InChI

InChI=1S/C20H25N3O2/c1-14-11-17-12-15(3-4-18(17)25-14)13-23-8-5-16(6-9-23)19(24)20-21-7-10-22(20)2/h3-4,7,10-12,16,19,24H,5-6,8-9,13H2,1-2H3/p+1/t19-/m0/s1