3-(heptan-4-ylazaniumyl)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(heptan-4-ylazaniumyl)propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(1-propylbutylammonio)propyl]ammonium CAS Name: 3-(heptan-4-ylammonio)propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(heptan-4-ylazaniumyl)propyl]-methylazanium Traditional Name: benzyl-methyl-[3-(1-propylbutylammonio)propyl]ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCCC(CCC)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C18H32N2/c1-4-10-18(11-5-2)19-14-9-15-20(3)16-17-12-7-6-8-13-17/h6-8,12-13,18-19H,4-5,9-11,14-16H2,1-3H3/p+2