[1-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium

Systemtic Name: [1-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium Openeye Name: [1-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium CAS Name: [1-[1-[(5-cyclohexyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]methylammonium IUPAC Name: [1-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylazanium Traditional Name: [1-[1-[(5-cyclohexyl-2-thienyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium Formula: C19H31N5S+2 MolecularWeight: 361.54794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(S2)C[NH+]3CCC(CC3)N4C=C(N=N4)C[NH3+]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(S2)C[NH+]3CCC(CC3)N4C=C(N=N4)C[NH3+]

InChI

InChI=1S/C19H29N5S/c20-12-16-13-24(22-21-16)17-8-10-23(11-9-17)14-18-6-7-19(25-18)15-4-2-1-3-5-15/h6-7,13,15,17H,1-5,8-12,14,20H2/p+2