[(2S)-3-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]azanium Openeye Name: [(1S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butan-2-yl]ammonium IUPAC Name: [(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-methyl-propyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

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