azepan-1-yl-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C29H37N4O2+ MolecularWeight: 473.62968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N4O2/c1-35-27-13-11-23(12-14-27)28-25(22-33(30-28)26-9-5-4-6-10-26)21-31-19-15-24(16-20-31)29(34)32-17-7-2-3-8-18-32/h4-6,9-14,22,24H,2-3,7-8,15-21H2,1H3/p+1