ethyl 4-[2-[[(2S)-2-methoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(2S)-2-methoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[(2S)-2-methoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-[[(2S)-2-methoxycarbonyl-1-piperidin-1-iumyl]methyl]-8-methyl-4-quinazolin-3-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2S)-2-methoxycarbonylpiperidin-1-ium-1-yl]methyl]-8-methylquinazolin-3-ium-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2S)-2-carbomethoxypiperidin-1-ium-1-yl]methyl]-8-methyl-quinazolin-3-ium-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H35N5O4+2 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=NC3=C2C=CC=C3C)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C(=NC3=C2C=CC=C3C)C[NH+]4CCCC[C@H]4C(=O)OC

InChI

InChI=1S/C24H33N5O4/c1-4-33-24(31)28-14-12-27(13-15-28)22-18-9-7-8-17(2)21(18)25-20(26-22)16-29-11-6-5-10-19(29)23(30)32-3/h7-9,19H,4-6,10-16H2,1-3H3/p+2/t19-/m0/s1