N-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine

Systemtic Name: N-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Openeye Name: N-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine CAS Name: N-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]ethanamine IUPAC Name: N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Traditional Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]amine Formula: C25H41N4O+ MolecularWeight: 413.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN(CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN(CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C

InChI

InChI=1S/C25H40N4O/c1-19(2)29-21(4)25(20(3)26-29)18-28(17-23-11-14-27(5)15-12-23)16-13-22-7-9-24(30-6)10-8-22/h7-10,19,23H,11-18H2,1-6H3/p+1