3-piperidin-1-ium-1-ylpropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: 3-(1-piperidin-1-iumyl)propyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: 3-piperidin-1-ium-1-ylpropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

InChI

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