N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-3-(1-methyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propanamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)propionamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)CCC3=CN(N=C3)C

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)CCC3=CN(N=C3)C

InChI

InChI=1S/C23H34N4O2/c1-25-13-10-20(11-14-25)18-27(15-12-19-4-7-22(29-3)8-5-19)23(28)9-6-21-16-24-26(2)17-21/h4-5,7-8,16-17,20H,6,9-15,18H2,1-3H3/p+1