(3S)-1-[[6-chloranyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[6-chloranyl-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[6-chloro-4-(4-methoxy-1-piperidyl)quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[6-chloro-4-(4-methoxy-1-piperidinyl)-2-quinazolinyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[6-chloro-4-(4-methoxypiperidin-1-yl)quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[6-chloro-4-(4-methoxypiperidino)quinazolin-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H29ClN5O2+ MolecularWeight: 418.94026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)Cl)C[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

COC1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)Cl)C[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C21H28ClN5O2/c1-29-16-6-9-27(10-7-16)21-17-11-15(22)4-5-18(17)24-19(25-21)13-26-8-2-3-14(12-26)20(23)28/h4-5,11,14,16H,2-3,6-10,12-13H2,1H3,(H2,23,28)/p+1/t14-/m0/s1