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

Systemtic Name: [(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]propyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CC[NH+](CC1)CCCC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](CN1CC[NH+](CC1)CCCC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C18H31N3/c1-16(2)18(19)15-21-13-11-20(12-14-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15,19H2,1-2H3/p+2/t18-/m1/s1