3-[2-(4-ethoxyphenoxy)ethyl]-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Openeye Name: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one CAS Name: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(1-piperidin-1-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Traditional Name: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C24H29N3O3/c1-2-29-19-10-12-20(13-11-19)30-17-16-27-23(18-26-14-6-3-7-15-26)25-22-9-5-4-8-21(22)24(27)28/h4-5,8-13H,2-3,6-7,14-18H2,1H3/p+1