2-azanyl-4-methyl-N-[1-(4-methylpentanoyl)-3-oxidanyl-azepan-1-ium-4-yl]pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[1-(4-methylpentanoyl)-3-oxidanyl-azepan-1-ium-4-yl]pentanamide Openeye Name: 2-amino-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]-4-methyl-pentanamide CAS Name: 2-amino-N-[3-hydroxy-1-(4-methyl-1-oxopentyl)-4-azepan-1-iumyl]-4-methylpentanamide IUPAC Name: 2-amino-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]-4-methylpentanamide Traditional Name: 2-amino-N-[3-hydroxy-1-(4-methylpentanoyl)azepan-1-ium-4-yl]-4-methyl-valeramide Formula: C18H36N3O3+ MolecularWeight: 342.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)[NH+]1CCCC(C(C1)O)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC(C)CCC(=O)[NH+]1CCCC(C(C1)O)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C18H35N3O3/c1-12(2)7-8-17(23)21-9-5-6-15(16(22)11-21)20-18(24)14(19)10-13(3)4/h12-16,22H,5-11,19H2,1-4H3,(H,20,24)/p+1