3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Openeye Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide CAS Name: 3-[[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Traditional Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-methoxyethyl)benzamide Formula: C21H30ClN4O3+ MolecularWeight: 421.9409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCOC)Cl)C

InChI

InChI=1S/C21H29ClN4O3/c1-15-19(20(22)25(2)24-15)14-26-10-7-17(8-11-26)29-18-6-4-5-16(13-18)21(27)23-9-12-28-3/h4-6,13,17H,7-12,14H2,1-3H3,(H,23,27)/p+1