(2S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2-carboxamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC3C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@H]3C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H31N5O3/c1-3-30-17-6-7-19-18(15-17)16(2)24-22(25-19)27-9-4-5-20(27)21(28)23-8-10-26-11-13-29-14-12-26/h6-7,15,20H,3-5,8-14H2,1-2H3,(H,23,28)/p+1/t20-/m0/s1