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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14(2)12-16(18)17(21)20-10-8-19(9-11-20)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3/p+2/t16-/m0/s1