(4-tert-butylphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (4-tert-butylphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-tert-butylphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-tert-butylphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-tert-butylbenzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C18H30N2/c1-18(2,3)17-9-7-16(8-10-17)15-19-11-6-14-20-12-4-5-13-20/h7-10,19H,4-6,11-15H2,1-3H3/p+2