4-[2-[5-methoxy-1-oxidanylidene-4-(pentylamino)-2,3-dihydroindol-1-ium-2-yl]ethyl]phenol

Systemtic Name: 4-[2-[5-methoxy-1-oxidanylidene-4-(pentylamino)-2,3-dihydroindol-1-ium-2-yl]ethyl]phenol Openeye Name: 4-[2-[5-methoxy-1-oxo-4-(pentylamino)indolin-1-ium-2-yl]ethyl]phenol CAS Name: 4-[2-[5-methoxy-1-oxo-4-(pentylamino)-2,3-dihydroindol-1-ium-2-yl]ethyl]phenol IUPAC Name: 4-[2-[5-methoxy-1-oxo-4-(pentylamino)-2,3-dihydroindol-1-ium-2-yl]ethyl]phenol Traditional Name: 4-[2-[4-(amylamino)-1-keto-5-methoxy-indolin-1-ium-2-yl]ethyl]phenol Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=CC2=C1CC([N+]2=O)CCC3=CC=C(C=C3)O)OC

Isomeric SMILES

CCCCCNC1=C(C=CC2=C1CC([N+]2=O)CCC3=CC=C(C=C3)O)OC

InChI

InChI=1S/C22H28N2O3/c1-3-4-5-14-23-22-19-15-17(9-6-16-7-10-18(25)11-8-16)24(26)20(19)12-13-21(22)27-2/h7-8,10-13,17,23H,3-6,9,14-15H2,1-2H3/p+1