[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [2-[homoveratryl-[(5-methyl-2-furyl)methyl]amino]-2-keto-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C24H37N3O4+2 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C[NH2+]CC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C[NH2+]CC[NH+]3CCCC3

InChI

InChI=1S/C24H35N3O4/c1-19-6-8-21(31-19)18-27(24(28)17-25-11-15-26-12-4-5-13-26)14-10-20-7-9-22(29-2)23(16-20)30-3/h6-9,16,25H,4-5,10-15,17-18H2,1-3H3/p+2