(2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium

Systemtic Name: (2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium Openeye Name: (2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium CAS Name: (2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium IUPAC Name: (2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium Traditional Name: (2S)-2-ethyl-1-methyl-4-[(2S)-2-phenylbutyl]piperazin-4-ium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCN1C)CC(CC)C2=CC=CC=C2

Isomeric SMILES

CC[C@H]1C[NH+](CCN1C)C[C@@H](CC)C2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-4-15(16-9-7-6-8-10-16)13-19-12-11-18(3)17(5-2)14-19/h6-10,15,17H,4-5,11-14H2,1-3H3/p+1/t15-,17+/m1/s1