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

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-butyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H27N3O/c1-3-14(2)16(18)17(21)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13,18H2,1-2H3/p+2/t14-,16-/m0/s1