1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-27-18-21(17-26-27)19-28-13-10-23(11-14-28)29-15-8-22(9-16-29)24(30)25-12-7-20-5-3-2-4-6-20/h2-6,17-18,22-23H,7-16,19H2,1H3,(H,25,30)/p+1