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

Systemtic Name: [(2S,3R)-3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1S,2R)-2-methyl-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]butyl]ammonium CAS Name: [(2S,3R)-3-methyl-1-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3R)-3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]pentan-2-yl]azanium Traditional Name: [(1S,2R)-2-methyl-1-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]butyl]ammonium Formula: C19H35N3+2 MolecularWeight: 305.5013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3/c1-3-17(2)19(20)16-22-14-12-21(13-15-22)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19H,3,7,10-16,20H2,1-2H3/p+2/t17-,19-/m1/s1