(4S)-6-azanyl-3-(methoxymethyl)-4-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-3-(methoxymethyl)-4-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-3-(methoxymethyl)-4-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-3-(methoxymethyl)-4-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-3-(methoxymethyl)-4-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-3-(methoxymethyl)-4-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H28N5O5+ MolecularWeight: 442.48822

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC[NH+]4CCOCC4)OC

Isomeric SMILES

COCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H27N5O5/c1-28-13-16-20-19(15(12-23)21(24)32-22(20)26-25-16)14-3-4-17(18(11-14)29-2)31-10-7-27-5-8-30-9-6-27/h3-4,11,19H,5-10,13,24H2,1-2H3,(H,25,26)/p+1/t19-/m0/s1