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

Systemtic Name: N-[2-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O/c1-23(21-25-11-6-3-7-12-25)22-31-19-16-26(17-20-31)32-27(15-18-29-32)30-28(33)14-8-13-24-9-4-2-5-10-24/h2-7,9-12,15,18,21,26H,8,13-14,16-17,19-20,22H2,1H3,(H,30,33)/p+1/b23-21+