N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C22H27ClN3O5+ MolecularWeight: 448.91988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26ClN3O5/c1-3-31-21-12-16(18(26(28)29)13-20(21)30-2)22(27)24-14-19(25-10-6-7-11-25)15-8-4-5-9-17(15)23/h4-5,8-9,12-13,19H,3,6-7,10-11,14H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1