(2R)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2R)-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2R)-3-benzyl-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2-dihydroquinazolin-4-one CAS Name: (2R)-2-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2R)-3-benzyl-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2-dihydroquinazolin-4-one Traditional Name: (2R)-3-benzyl-2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-1,2-dihydroquinazolin-4-one Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C[NH+]5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C27H29N3O3/c1-32-25-12-11-21(17-22(25)19-29-13-15-33-16-14-29)26-28-24-10-6-5-9-23(24)27(31)30(26)18-20-7-3-2-4-8-20/h2-12,17,26,28H,13-16,18-19H2,1H3/p+1/t26-/m1/s1