methyl-[(4R)-1-(3-methylbutyl)-7-oxidanylidene-azepan-4-yl]-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: methyl-[(4R)-1-(3-methylbutyl)-7-oxidanylidene-azepan-4-yl]-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [(4R)-1-isopentyl-7-oxo-azepan-4-yl]-methyl-[(3-methylisoxazol-5-yl)methyl]ammonium CAS Name: methyl-[(4R)-1-(3-methylbutyl)-7-oxo-4-azepanyl]-[(3-methyl-5-isoxazolyl)methyl]ammonium IUPAC Name: methyl-[(4R)-1-(3-methylbutyl)-7-oxoazepan-4-yl]-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [(4R)-1-isoamyl-7-keto-azepan-4-yl]-methyl-[(3-methylisoxazol-5-yl)methyl]ammonium Formula: C17H30N3O2+ MolecularWeight: 308.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+](C)C2CCC(=O)N(CC2)CCC(C)C

Isomeric SMILES

CC1=NOC(=C1)C[NH+](C)[C@@H]2CCC(=O)N(CC2)CCC(C)C

InChI

InChI=1S/C17H29N3O2/c1-13(2)7-9-20-10-8-15(5-6-17(20)21)19(4)12-16-11-14(3)18-22-16/h11,13,15H,5-10,12H2,1-4H3/p+1/t15-/m1/s1