N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-31-22-9-3-2-6-19(22)8-5-15-28-16-11-21(12-17-28)29-23(10-14-26-29)27-24(30)20-7-4-13-25-18-20/h2-10,13-14,18,21H,11-12,15-17H2,1H3,(H,27,30)/p+1/b8-5+