(2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: [2-keto-2-(3-phenylpropylamino)ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O2/c1-17-11-12-20(25-3)19(14-17)15-23(2)16-21(24)22-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3,(H,22,24)/p+1