[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C21H27N3O3+2 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3/c25-21(23-18-6-7-19-20(12-18)27-15-26-19)13-22-17-8-10-24(11-9-17)14-16-4-2-1-3-5-16/h1-7,12,17,22H,8-11,13-15H2,(H,23,25)/p+2