3,3-dimethyl-1-oxidanidyl-7-pentyl-1-(phenylmethyl)-2H-indol-1-ium-4-ol

Systemtic Name: 3,3-dimethyl-1-oxidanidyl-7-pentyl-1-(phenylmethyl)-2H-indol-1-ium-4-ol Openeye Name: 1-benzyl-3,3-dimethyl-1-oxido-7-pentyl-indolin-1-ium-4-ol CAS Name: 3,3-dimethyl-1-oxido-7-pentyl-1-(phenylmethyl)-2H-indol-1-ium-4-ol IUPAC Name: 1-benzyl-3,3-dimethyl-1-oxido-7-pentyl-2H-indol-1-ium-4-ol Traditional Name: 7-amyl-1-benzyl-3,3-dimethyl-1-oxido-indolin-1-ium-4-ol Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=C(C=C1)O)C(C[N+]2(CC3=CC=CC=C3)[O-])(C)C

Isomeric SMILES

CCCCCC1=C2C(=C(C=C1)O)C(C[N+]2(CC3=CC=CC=C3)[O-])(C)C

InChI

InChI=1S/C22H29NO2/c1-4-5-7-12-18-13-14-19(24)20-21(18)23(25,16-22(20,2)3)15-17-10-8-6-9-11-17/h6,8-11,13-14,24H,4-5,7,12,15-16H2,1-3H3