1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H31N3O3/c1-28-22-9-7-20(8-10-22)26-12-14-27(15-13-26)21-5-3-11-25(17-21)16-19-4-2-6-23-24(19)30-18-29-23/h2,4,6-10,21H,3,5,11-18H2,1H3/p+1/t21-/m0/s1