[1-[1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium

Systemtic Name: [1-[1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium Openeye Name: [1-[1-[[4-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium CAS Name: [1-[1-[(4-cyclopentyloxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]methylammonium IUPAC Name: [1-[1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylazanium Traditional Name: [1-[1-[4-(cyclopentoxy)benzyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium Formula: C20H31N5O+2 MolecularWeight: 357.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)N4C=C(N=N4)C[NH3+]

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)C[NH+]3CCC(CC3)N4C=C(N=N4)C[NH3+]

InChI

InChI=1S/C20H29N5O/c21-13-17-15-25(23-22-17)18-9-11-24(12-10-18)14-16-5-7-20(8-6-16)26-19-3-1-2-4-19/h5-8,15,18-19H,1-4,9-14,21H2/p+2