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

Systemtic Name: 1-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-29-25-13-11-22(12-14-25)7-5-15-26-16-6-10-24(21-26)28-19-17-27(18-20-28)23-8-3-2-4-9-23/h2-5,7-9,11-14,24H,6,10,15-21H2,1H3/p+1/b7-5+/t24-/m0/s1