3-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-ethoxy-1H-quinolin-2-one

Systemtic Name: 3-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-ethoxy-1H-quinolin-2-one Openeye Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[(R)-(1-tert-butyl-5-tetrazolyl)-(4-morpholin-4-iumyl)methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-ylmethyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-ethoxy-carbostyril Formula: C21H29N6O3+ MolecularWeight: 413.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C(C)(C)C)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N6O3/c1-5-30-15-6-7-17-14(12-15)13-16(20(28)22-17)18(26-8-10-29-11-9-26)19-23-24-25-27(19)21(2,3)4/h6-7,12-13,18H,5,8-11H2,1-4H3,(H,22,28)/p+1/t18-/m1/s1