1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidinyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H33N3O3/c1-29-23-7-5-21(6-8-23)27-11-13-28(14-12-27)22-3-2-10-26(19-22)18-20-4-9-24-25(17-20)31-16-15-30-24/h4-9,17,22H,2-3,10-16,18-19H2,1H3/p+1/t22-/m0/s1