3-(2-ethoxyphenyl)-2-[(4-oxidanylpiperidin-1-yl)methyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2-ethoxyphenyl)-2-[(4-oxidanylpiperidin-1-yl)methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(2-ethoxyphenyl)-2-[(4-hydroxy-1-piperidyl)methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2-ethoxyphenyl)-2-[(4-hydroxy-1-piperidinyl)methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2-ethoxyphenyl)-2-[(4-hydroxypiperidin-1-yl)methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(4-hydroxypiperidino)methyl]-3-o-phenetyl-4aH-quinazolin-3-ium-4-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCC(CC4)O

Isomeric SMILES

CCOC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCC(CC4)O

InChI

InChI=1S/C22H26N3O3/c1-2-28-20-10-6-5-9-19(20)25-21(15-24-13-11-16(26)12-14-24)23-18-8-4-3-7-17(18)22(25)27/h3-10,16-17,26H,2,11-15H2,1H3/q+1