ethyl 1-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(R)-(1-cyclohexyl-5-tetrazolyl)-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H37N6O3+ MolecularWeight: 493.62108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC3=C(C(=C(C=C3)C)C)NC2=O)C4=NN=NN4C5CCCCC5

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC3=C(C(=C(C=C3)C)C)NC2=O)C4=NN=NN4C5CCCCC5

InChI

InChI=1S/C27H36N6O3/c1-4-36-27(35)19-12-14-32(15-13-19)24(25-29-30-31-33(25)21-8-6-5-7-9-21)22-16-20-11-10-17(2)18(3)23(20)28-26(22)34/h10-11,16,19,21,24H,4-9,12-15H2,1-3H3,(H,28,34)/p+1/t24-/m1/s1