N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,3-dimethyl-butanamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,3-dimethyl-butanamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,3-dimethyl-butanamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-3,3-dimethylbutanamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,3-dimethylbutanamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-3,3-dimethyl-butyramide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)CC(=O)N[N+]1(CCCC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33N3O2/c1-26(2,3)19-25(30)28-29(15-4-5-16-29)17-6-18-31-24-13-11-23(12-14-24)22-9-7-21(20-27)8-10-22/h7-14H,4-6,15-19H2,1-3H3/p+1