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

Systemtic Name: 2-chloranyl-N-[2-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H28ClN4O+ MolecularWeight: 435.96902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H27ClN4O/c1-19(17-20-7-3-2-4-8-20)18-29-15-12-21(13-16-29)30-24(11-14-27-30)28-25(31)22-9-5-6-10-23(22)26/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,28,31)/p+1/b19-17+