[1-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]piperidin-4-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]piperidin-4-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [1-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-4-piperidyl]-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [1-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-4-piperidinyl]-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [1-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]piperidin-4-yl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[1-[4-(piperonyloylamino)phenyl]-4-piperidyl]ammonium Formula: C27H35N4O5+ MolecularWeight: 495.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H34N4O5/c1-2-34-27(33)31-15-11-22(12-16-31)28-21-9-13-30(14-10-21)23-6-4-20(5-7-23)29-26(32)19-3-8-24-25(17-19)36-18-35-24/h3-8,17,21-22,28H,2,9-16,18H2,1H3,(H,29,32)/p+1