[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(1-isopropylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(1-isopropylpyrazol-4-yl)methyl]ammonium Formula: C20H33N5+2 MolecularWeight: 343.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C20H31N5/c1-16(2)25-15-17(13-23-25)12-21-14-18-8-7-11-22-20(18)24(3)19-9-5-4-6-10-19/h7-8,11,13,15-16,19,21H,4-6,9-10,12,14H2,1-3H3/p+2