ethyl 4-[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(6-ethoxy-4-methyl-2-quinazolinyl)-1,4-diazepan-1-ium-1-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-ethoxy-4-methylquinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(6-ethoxy-4-methyl-quinazolin-2-yl)-1,4-diazepan-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H36N5O3+ MolecularWeight: 442.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)C4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)C4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C24H35N5O3/c1-4-31-20-7-8-22-21(17-20)18(3)25-23(26-22)28-12-6-11-27(15-16-28)19-9-13-29(14-10-19)24(30)32-5-2/h7-8,17,19H,4-6,9-16H2,1-3H3/p+1