1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(3-phenylpropyl)piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(3-phenylpropyl)piperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(3-phenylpropyl)piperazin-1-ium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-3-16(2)19-14-12-18(13-15-19)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,10-15H2,1-2H3/p+1/t16-/m0/s1