(5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-methyl-1-prop-2-enyl-4-pyrazolyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-methyl-1-prop-2-enylpyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-allyl-5-methyl-pyrazol-4-yl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C23H37N5+2 MolecularWeight: 383.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC=C)C[NH+](CC2=CC=NC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=C(C=NN1CC=C)C[NH+](CC2=CC=NC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C23H35N5/c1-7-12-28-18(2)20(15-25-28)17-27(16-19-8-10-24-11-9-19)21-13-22(3,4)26-23(5,6)14-21/h7-11,15,21,26H,1,12-14,16-17H2,2-6H3/p+2