4-(azaniumylmethyl)heptan-4-yl-methyl-(phenylmethyl)azanium

Systemtic Name: 4-(azaniumylmethyl)heptan-4-yl-methyl-(phenylmethyl)azanium Openeye Name: [1-(azaniumylmethyl)-1-propyl-butyl]-benzyl-methyl-ammonium CAS Name: 4-(ammoniomethyl)heptan-4-yl-methyl-(phenylmethyl)ammonium IUPAC Name: 4-(azaniumylmethyl)heptan-4-yl-benzyl-methylazanium Traditional Name: [1-(ammoniomethyl)-1-propyl-butyl]-benzyl-methyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C[NH3+])[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCCC(CCC)(C[NH3+])[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C16H28N2/c1-4-11-16(14-17,12-5-2)18(3)13-15-9-7-6-8-10-15/h6-10H,4-5,11-14,17H2,1-3H3/p+2