N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-18-7-8-21(30-18)17-26-14-10-19(11-15-26)27-22(9-13-24-27)25-23(28)12-16-29-20-5-3-2-4-6-20/h2-9,13,19H,10-12,14-17H2,1H3,(H,25,28)/p+1