methyl-[3-(3-methylbutylazaniumyl)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(3-methylbutylazaniumyl)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-(isopentylammonio)propyl]-methyl-ammonium CAS Name: methyl-[3-(3-methylbutylammonio)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(3-methylbutylazaniumyl)propyl]azanium Traditional Name: benzyl-[3-(isoamylammonio)propyl]-methyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-15(2)10-12-17-11-7-13-18(3)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3/p+2