[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (1-isopropylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-isopropylpyrazol-4-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C22H37N5O+2 MolecularWeight: 387.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C22H35N5O/c1-19(2)27-18-22(14-24-27)17-26(15-20-4-8-23-9-5-20)16-21-6-10-25(11-7-21)12-13-28-3/h4-5,8-9,14,18-19,21H,6-7,10-13,15-17H2,1-3H3/p+2