2-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(1-cyclohexyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-6-methyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methylquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile Formula: C23H30N8+2 MolecularWeight: 418.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C23H28N8/c1-17-7-8-21-18(13-17)14-19(15-24)23(25-21)30-11-9-29(10-12-30)16-22-26-27-28-31(22)20-5-3-2-4-6-20/h7-8,13-14,20H,2-6,9-12,16H2,1H3/p+2