[(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CN(C)C2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](CN(C)C2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C17H29N3/c1-4-14-5-7-15(8-6-14)17(18)13-20(3)16-9-11-19(2)12-10-16/h5-8,16-17H,4,9-13,18H2,1-3H3/p+2/t17-/m1/s1