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

Systemtic Name: 3-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[(R)-(1-tert-butyl-5-tetrazolyl)-(1-pyrrolidin-1-iumyl)methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[(R)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-ethyl-carbostyril Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)[NH+]4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C(C)(C)C)[NH+]4CCCC4

InChI

InChI=1S/C21H28N6O/c1-5-14-8-9-17-15(12-14)13-16(20(28)22-17)18(26-10-6-7-11-26)19-23-24-25-27(19)21(2,3)4/h8-9,12-13,18H,5-7,10-11H2,1-4H3,(H,22,28)/p+1/t18-/m1/s1