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

Systemtic Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propylphenyl)ethyl]azanium Openeye Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propylphenyl)ethyl]ammonium CAS Name: [(1S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-(4-propylphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propylphenyl)ethyl]azanium Traditional Name: [(1S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-1-(4-propylphenyl)ethyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CN(C)C2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](CN(C)C2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C18H31N3/c1-4-5-15-6-8-16(9-7-15)18(19)14-21(3)17-10-12-20(2)13-11-17/h6-9,17-18H,4-5,10-14,19H2,1-3H3/p+2/t18-/m1/s1