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

Systemtic Name: N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-33-25-12-6-5-10-23(25)11-7-19-30-20-16-24(17-21-30)31-26(15-18-28-31)29-27(32)14-13-22-8-3-2-4-9-22/h2-12,15,18,24H,13-14,16-17,19-21H2,1H3,(H,29,32)/p+1/b11-7+