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

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC)CC=C

InChI

InChI=1S/C27H32N4O2/c1-4-14-31-19-23(20(2)29-31)18-30-15-12-21(13-16-30)27(32)28-26-11-6-5-10-25(26)22-8-7-9-24(17-22)33-3/h4-11,17,19,21H,1,12-16,18H2,2-3H3,(H,28,32)/p+1