(4S)-2-azanyl-7,7-dimethyl-4-[4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-7,7-dimethyl-4-[4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-7,7-dimethyl-4-[4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-7,7-dimethyl-4-[4-(4-morpholin-4-iumylmethyl)-2-thiophenyl]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-7,7-dimethyl-4-[4-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-7,7-dimethyl-4-[4-(morpholin-4-ium-4-ylmethyl)-2-thienyl]-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CS3)C[NH+]4CCOCC4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=CS3)C[NH+]4CCOCC4)C(=O)C1)C

InChI

InChI=1S/C21H25N3O3S/c1-21(2)8-15(25)19-16(9-21)27-20(23)14(10-22)18(19)17-7-13(12-28-17)11-24-3-5-26-6-4-24/h7,12,18H,3-6,8-9,11,23H2,1-2H3/p+1/t18-/m1/s1