3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O3/c1-4-9-27-17(2)14-20(18(27)3)22(29)15-28-23(16-26-10-12-31-13-11-26)25-21-8-6-5-7-19(21)24(28)30/h4-8,14H,1,9-13,15-16H2,2-3H3/p+1