diethyl-[(1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-(4-methoxy-3-methylphenyl)-2-(1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-methoxy-3-methylphenyl)-2-piperazin-4-ium-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]ammonium Formula: C18H33N3O+2 MolecularWeight: 307.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CN1CC[NH2+]CC1)C2=CC(=C(C=C2)OC)C

Isomeric SMILES

CC[NH+](CC)[C@H](CN1CC[NH2+]CC1)C2=CC(=C(C=C2)OC)C

InChI

InChI=1S/C18H31N3O/c1-5-21(6-2)17(14-20-11-9-19-10-12-20)16-7-8-18(22-4)15(3)13-16/h7-8,13,17,19H,5-6,9-12,14H2,1-4H3/p+2/t17-/m1/s1