[3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(3-phenoxypropyl)azanium

Systemtic Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(3-phenoxypropyl)azanium Openeye Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(3-phenoxypropyl)ammonium CAS Name: [3-[2-cyano-4-[(dipropylamino)-oxomethyl]phenoxy]-2-hydroxypropyl]-dimethyl-(3-phenoxypropyl)ammonium IUPAC Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxypropyl]-dimethyl-(3-phenoxypropyl)azanium Traditional Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(3-phenoxypropyl)ammonium Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCOC2=CC=CC=C2)O)C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCOC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C28H40N3O4/c1-5-15-30(16-6-2)28(33)23-13-14-27(24(19-23)20-29)35-22-25(32)21-31(3,4)17-10-18-34-26-11-8-7-9-12-26/h7-9,11-14,19,25,32H,5-6,10,15-18,21-22H2,1-4H3/q+1