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

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone Formula: C33H40N3O+ MolecularWeight: 494.6902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H39N3O/c1-27(25-28-11-5-2-6-12-28)26-34-19-17-31(18-20-34)33(37)36-23-21-35(22-24-36)32(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-16,25,31-32H,17-24,26H2,1H3/p+1/b27-25+