1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)CC=C

InChI

InChI=1S/C25H29N5O2/c1-3-13-30-18-21(19(2)28-30)17-29-14-10-20(11-15-29)25(31)27-22-6-8-23(9-7-22)32-24-5-4-12-26-16-24/h3-9,12,16,18,20H,1,10-11,13-15,17H2,2H3,(H,27,31)/p+1