[(2S)-3-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methylamino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]propyl]ammonium Formula: C18H37N3O+2 MolecularWeight: 311.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C18H35N3O/c1-14(2)16(19)17(22)20-13-18(9-5-4-6-10-18)21-11-7-15(3)8-12-21/h14-16H,4-13,19H2,1-3H3,(H,20,22)/p+2/t16-/m0/s1