[(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(veratrylcarbamoyl)butyl]ammonium Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)[NH3+]

InChI

InChI=1S/C15H24N2O3/c1-5-10(2)14(16)15(18)17-9-11-6-7-12(19-3)13(8-11)20-4/h6-8,10,14H,5,9,16H2,1-4H3,(H,17,18)/p+1/t10-,14-/m0/s1