2-[4-[(1-cyclopentyl-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-cyclopentyl-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-cyclopentyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(1-cyclopentyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-6-methyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methylquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-[(1-cyclopentyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-6-methyl-quinolin-1-ium-3-carbonitrile Formula: C22H28N8+2 MolecularWeight: 404.51132

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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=NN4C5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)CC4=NN=NN4C5CCCC5

InChI

InChI=1S/C22H26N8/c1-16-6-7-20-17(12-16)13-18(14-23)22(24-20)29-10-8-28(9-11-29)15-21-25-26-27-30(21)19-4-2-3-5-19/h6-7,12-13,19H,2-5,8-11,15H2,1H3/p+2