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

Systemtic Name: [(2R,3S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1R,2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2R,3S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2R,3S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1R,2S)-1-[homoveratryl(methyl)carbamoyl]-2-methyl-butyl]ammonium Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)CCC1=CC(=C(C=C1)OC)OC)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N(C)CCC1=CC(=C(C=C1)OC)OC)[NH3+]

InChI

InChI=1S/C17H28N2O3/c1-6-12(2)16(18)17(20)19(3)10-9-13-7-8-14(21-4)15(11-13)22-5/h7-8,11-12,16H,6,9-10,18H2,1-5H3/p+1/t12-,16+/m0/s1