[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O/c1-22(20-23-8-4-2-5-9-23)21-27-14-12-24(13-15-27)26(30)29-18-16-28(17-19-29)25-10-6-3-7-11-25/h2-11,20,24H,12-19,21H2,1H3/p+1/b22-20+