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

Systemtic Name: [(2S)-4-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methylamino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylamino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methylcarbamoyl]butyl]ammonium Formula: C19H39N3O+2 MolecularWeight: 325.53246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H37N3O/c1-15(2)13-17(20)18(23)21-14-19(9-5-4-6-10-19)22-11-7-16(3)8-12-22/h15-17H,4-14,20H2,1-3H3,(H,21,23)/p+2/t17-/m0/s1