N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-N-phenethyl-propanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-N-phenethyl-propanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-N-phenethyl-propanamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-3-(1-methyl-4-pyrazolyl)-N-phenethylpropanamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-N-phenethylpropanamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-N-phenethyl-propionamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-24-13-10-20(11-14-24)18-26(15-12-19-6-4-3-5-7-19)22(27)9-8-21-16-23-25(2)17-21/h3-7,16-17,20H,8-15,18H2,1-2H3/p+1