1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C24H34N2O2+2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O2/c1-27-23-10-9-21(17-24(23)28-19-20-7-3-2-4-8-20)18-25-15-11-22(12-16-25)26-13-5-6-14-26/h2-4,7-10,17,22H,5-6,11-16,18-19H2,1H3/p+2