(4-propan-2-ylphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H30N2/c1-4-11-20-12-9-18(10-13-20)19-14-16-5-7-17(8-6-16)15(2)3/h5-8,15,18-19H,4,9-14H2,1-3H3/p+2