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

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C3C(=CC=C2)OCO3)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=C3C(=CC=C2)OCO3)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H28ClN3O2/c24-19-5-2-6-20(14-19)26-10-12-27(13-11-26)21-7-3-9-25(16-21)15-18-4-1-8-22-23(18)29-17-28-22/h1-2,4-6,8,14,21H,3,7,9-13,15-17H2/p+1/t21-/m0/s1