[2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C23H32ClN4O2+ MolecularWeight: 431.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4)Cl)C

InChI

InChI=1S/C23H31ClN4O2/c1-17-20(22(24)26(2)25-17)16-27-14-10-18(11-15-27)30-21-9-5-4-8-19(21)23(29)28-12-6-3-7-13-28/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3/p+1