[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(3R)-3-(4-chlorophenyl)-6-methylheptyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(3R)-3-(4-chlorophenyl)-6-methylheptyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H35ClN2+2 MolecularWeight: 338.9583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]C1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]C1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H33ClN2/c1-16(2)4-5-18(17-6-8-19(21)9-7-17)10-13-22-20-11-14-23(3)15-12-20/h6-9,16,18,20,22H,4-5,10-15H2,1-3H3/p+2/t18-/m1/s1