N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-3-pyrazol-1-yl-propanamide

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-3-pyrazol-1-yl-propanamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-pyrazol-1-yl-propanamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methylpropyl)-3-(1-pyrazolyl)propanamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methylpropyl)-3-pyrazol-1-ylpropanamide Traditional Name: N-isobutyl-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]-3-pyrazol-1-yl-propionamide Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C24H36N4O2/c1-20(2)17-27(24(29)11-16-28-13-6-12-25-28)18-21-9-14-26(15-10-21)19-22-7-4-5-8-23(22)30-3/h4-8,12-13,20-21H,9-11,14-19H2,1-3H3/p+1