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

Systemtic Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(3-phenylpropyl)azanium Openeye Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(3-phenylpropyl)ammonium CAS Name: [3-[2-cyano-4-[(dipropylamino)-oxomethyl]phenoxy]-2-hydroxypropyl]-dimethyl-(3-phenylpropyl)ammonium IUPAC Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxypropyl]-dimethyl-(3-phenylpropyl)azanium Traditional Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(3-phenylpropyl)ammonium Formula: C28H40N3O3+ MolecularWeight: 466.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCC2=CC=CC=C2)O)C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C28H40N3O3/c1-5-16-30(17-6-2)28(33)24-14-15-27(25(19-24)20-29)34-22-26(32)21-31(3,4)18-10-13-23-11-8-7-9-12-23/h7-9,11-12,14-15,19,26,32H,5-6,10,13,16-18,21-22H2,1-4H3/q+1