(4-chlorophenyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C18H27ClN2O+2 MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H25ClN2O/c1-20-11-8-17(9-12-20)21-10-2-3-15(13-21)18(22)14-4-6-16(19)7-5-14/h4-7,15,17H,2-3,8-13H2,1H3/p+2/t15-/m0/s1