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

Systemtic Name: diethyl-[(1S)-1-phenyl-2-piperazin-4-ium-1-yl-ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-piperazin-4-ium-1-yl-ethyl]ammonium CAS Name: diethyl-[(1S)-1-phenyl-2-(1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-piperazin-4-ium-1-ylethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-piperazin-4-ium-1-yl-ethyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-3-19(4-2)16(15-8-6-5-7-9-15)14-18-12-10-17-11-13-18/h5-9,16-17H,3-4,10-14H2,1-2H3/p+2/t16-/m1/s1