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

Systemtic Name: 1-(3-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol Openeye Name: 1-(3-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol CAS Name: 1-(3-hydroxyphenyl)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol IUPAC Name: 1-(3-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-ium-6-ol Traditional Name: 1-(3-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(=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3/c30-24-7-3-6-23(20-24)29(17-4-5-21-19-25(31)10-13-27(21)29)22-8-11-26(12-9-22)32-18-16-28-14-1-2-15-28/h3,6-13,19-20H,1-2,4-5,14-18H2,(H-,30,31)/p+1