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

Systemtic Name: 4-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]butanamide Openeye Name: 4-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]butanamide CAS Name: 4-(4-chlorophenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]butanamide IUPAC Name: 4-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]butanamide Traditional Name: 4-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]butyramide Formula: C21H34ClN3O+2 MolecularWeight: 379.96716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H32ClN3O/c1-24-14-11-20(12-15-24)25-13-3-5-19(16-25)23-21(26)6-2-4-17-7-9-18(22)10-8-17/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,26)/p+2/t19-/m0/s1