(4-ethylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium

Systemtic Name: (4-ethylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: (4-ethylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: (4-ethylphenyl)methyl-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: (4-ethylbenzyl)-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCC(CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCC(CC2)C

InChI

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