N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-2-16-31-22-8-4-3-6-20(22)18-28-14-10-21(11-15-28)29-23(9-13-26-29)27-24(30)19-7-5-12-25-17-19/h2-9,12-13,17,21H,1,10-11,14-16,18H2,(H,27,30)/p+1