[(2-azanyl-4-methyl-pentyl)-(phenylmethyl)-propyl-azaniumyl]methanoate

Systemtic Name: [(2-azanyl-4-methyl-pentyl)-(phenylmethyl)-propyl-azaniumyl]methanoate Openeye Name: [(2-amino-4-methyl-pentyl)-benzyl-propyl-ammonio]formate CAS Name: [(2-amino-4-methylpentyl)-(phenylmethyl)-propylammonio]formate IUPAC Name: [(2-amino-4-methylpentyl)-benzyl-propylazaniumyl]formate Traditional Name: [(2-amino-4-methyl-pentyl)-benzyl-propyl-ammonio]formate Formula: C17H28N2O2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=CC=CC=C1)(CC(CC(C)C)N)C(=O)[O-]

Isomeric SMILES

CCC[N+](CC1=CC=CC=C1)(CC(CC(C)C)N)C(=O)[O-]

InChI

InChI=1S/C17H28N2O2/c1-4-10-19(17(20)21,13-16(18)11-14(2)3)12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13,18H2,1-3H3