dimethyl-[(1S)-2-[4-(3-methylphenoxy)butanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[4-(3-methylphenoxy)butanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[4-(3-methylphenoxy)butanoylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[4-(3-methylphenoxy)butanoylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[4-(3-methylphenoxy)butanoylamino]-1-phenyl-ethyl]ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H28N2O2/c1-17-9-7-12-19(15-17)25-14-8-13-21(24)22-16-20(23(2)3)18-10-5-4-6-11-18/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,22,24)/p+1/t20-/m1/s1