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

Systemtic Name: [1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]methanone Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O/c1-23(20-24-8-4-2-5-9-24)21-28-14-12-26(13-15-28)27(31)30-18-16-29(17-19-30)22-25-10-6-3-7-11-25/h2-11,20,26H,12-19,21-22H2,1H3/p+1/b23-20+