4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethoxy-benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethoxybenzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,5-dimethoxy-benzamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5/c1-28-18-10-16(11-19(29-2)21(18)30-14-20(23)26)22(27)24-17-8-9-25(13-17)12-15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12-14H2,1-2H3,(H2,23,26)(H,24,27)/p+1/t17-/m0/s1