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

Systemtic Name: (2S)-2-methyl-4-[(2S)-2-phenylbutyl]-1-propan-2-yl-piperazin-1-ium Openeye Name: (2S)-1-isopropyl-2-methyl-4-[(2S)-2-phenylbutyl]piperazin-1-ium CAS Name: (2S)-2-methyl-4-[(2S)-2-phenylbutyl]-1-propan-2-ylpiperazin-1-ium IUPAC Name: (2S)-2-methyl-4-[(2S)-2-phenylbutyl]-1-propan-2-ylpiperazin-1-ium Traditional Name: (2S)-1-isopropyl-2-methyl-4-[(2S)-2-phenylbutyl]piperazin-1-ium Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CC[NH+](C(C1)C)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CN1CC[NH+]([C@H](C1)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H30N2/c1-5-17(18-9-7-6-8-10-18)14-19-11-12-20(15(2)3)16(4)13-19/h6-10,15-17H,5,11-14H2,1-4H3/p+1/t16-,17+/m0/s1