2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyrrolidin-1-ium-1-ylethanoyl)piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyrrolidin-1-ium-1-ylethanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyrrolidin-1-ium-1-ylacetyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-pyrrolidin-1-ium-1-ylacetyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(2-pyrrolidin-1-ium-1-ylacetyl)-3-piperidyl]ammonium Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C[NH+]3CCCC3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C22H35N3O3/c1-23(14-10-18-8-9-20(27-2)21(15-18)28-3)19-7-6-13-25(16-19)22(26)17-24-11-4-5-12-24/h8-9,15,19H,4-7,10-14,16-17H2,1-3H3/p+2/t19-/m0/s1