N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCC4

InChI

InChI=1S/C25H29ClN4O2/c1-18-8-6-10-20-24(18)28-17-30(25(20)32)15-7-12-23(31)27-16-22(29-13-4-5-14-29)19-9-2-3-11-21(19)26/h2-3,6,8-11,17,22H,4-5,7,12-16H2,1H3,(H,27,31)/p+1/t22-/m0/s1