(S)-[1-[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol

Systemtic Name: (S)-[1-[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiophen-2-yl-methanol Openeye Name: (S)-[1-[1-(4,6-dimethylquinazolin-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol CAS Name: (S)-[1-[1-(4,6-dimethyl-2-quinazolinyl)-4-piperidinyl]-4-piperidin-1-iumyl]-thiophen-2-ylmethanol IUPAC Name: (S)-[1-[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]-thiophen-2-ylmethanol Traditional Name: (S)-[1-[1-(4,6-dimethylquinazolin-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]-(2-thienyl)methanol Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCC(CC4)C(C5=CC=CS5)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)[NH+]4CCC(CC4)[C@@H](C5=CC=CS5)O

InChI

InChI=1S/C25H32N4OS/c1-17-5-6-22-21(16-17)18(2)26-25(27-22)29-13-9-20(10-14-29)28-11-7-19(8-12-28)24(30)23-4-3-15-31-23/h3-6,15-16,19-20,24,30H,7-14H2,1-2H3/p+1/t24-/m0/s1