ethyl 1-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H32N4O4S/c1-3-32-24(30)18-8-10-28(11-9-18)23(29)17(2)33-22-19-6-4-5-7-20(19)25-21(26-22)16-27-12-14-31-15-13-27/h4-7,17-18H,3,8-16H2,1-2H3/p+1/t17-/m0/s1