1-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol

Systemtic Name: 1-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol Openeye Name: 1-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol CAS Name: 1-(4-hydroxyphenyl)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol IUPAC Name: 1-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol Traditional Name: 1-(4-hydroxyphenyl)-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)[N+]3(CCCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)[N+]3(CCCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H30N2O3/c30-24-9-5-22(6-10-24)29(18-3-4-21-20-25(31)11-14-27(21)29)23-7-12-26(13-8-23)32-19-17-28-15-1-2-16-28/h5-14,20H,1-4,15-19H2,(H-,30,31)/p+1