[1-(7-methoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1R,3S)-5-oxidanyl-2-adamantyl]azanium

Systemtic Name: [1-(7-methoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1R,3S)-5-oxidanyl-2-adamantyl]azanium Openeye Name: [(1R,3S)-5-hydroxy-2-adamantyl]-[1-(7-methoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium CAS Name: [(1R,3S)-5-hydroxy-2-adamantyl]-[1-(7-methoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: [(1R,3S)-5-hydroxy-2-adamantyl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: [(1R,3S)-5-hydroxy-2-adamantyl]-[1-(7-methoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)OC)N3CCC(CC3)[NH2+]C4C5CC6CC4CC(C6)(C5)O

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)OC)N3CCC(CC3)[NH2+]C4[C@@H]5CC6C[C@H]4CC(C5)(C6)O

InChI

InChI=1S/C25H34N4O2/c1-15-21-4-3-20(31-2)11-22(21)28-24(26-15)29-7-5-19(6-8-29)27-23-17-9-16-10-18(23)14-25(30,12-16)13-17/h3-4,11,16-19,23,27,30H,5-10,12-14H2,1-2H3/p+1/t16?,17-,18+,23?,25?