(7-methoxy-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C21H28N2O3+2 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O3/c1-24-19-11-17(12-20-21(19)26-15-25-20)13-22-18-7-9-23(10-8-18)14-16-5-3-2-4-6-16/h2-6,11-12,18,22H,7-10,13-15H2,1H3/p+2