1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H35N3O/c1-22(19-23-7-4-3-5-8-23)20-27-14-6-9-25(21-27)29-17-15-28(16-18-29)24-10-12-26(30-2)13-11-24/h3-5,7-8,10-13,19,25H,6,9,14-18,20-21H2,1-2H3/p+1/b22-19+/t25-/m0/s1