3-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

Systemtic Name: 3-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one Openeye Name: 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-8-methyl-1H-quinolin-2-one CAS Name: 3-[(R)-(4-ethyl-1-piperazine-1,4-diiumyl)-[1-(phenylmethyl)-5-tetrazolyl]methyl]-8-methyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-8-methyl-1H-quinolin-2-one Traditional Name: 3-[(R)-(1-benzyltetrazol-5-yl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-8-methyl-carbostyril Formula: C25H31N7O+2 MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC3=C(C(=CC=C3)C)NC2=O)C4=NN=NN4CC5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC3=C(C(=CC=C3)C)NC2=O)C4=NN=NN4CC5=CC=CC=C5

InChI

InChI=1S/C25H29N7O/c1-3-30-12-14-31(15-13-30)23(21-16-20-11-7-8-18(2)22(20)26-25(21)33)24-27-28-29-32(24)17-19-9-5-4-6-10-19/h4-11,16,23H,3,12-15,17H2,1-2H3,(H,26,33)/p+2/t23-/m1/s1