(2S)-1-[(2S)-2-methylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-[(2S)-2-methylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-[(2S)-2-methyl-1-piperidyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-[(2S)-2-methyl-1-piperidinyl]-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-[(2S)-2-methylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-[(2S)-2-methylpiperidino]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Formula: C19H37N3O+2 MolecularWeight: 323.51658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C(C)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C19H35N3O/c1-16-8-4-7-13-22(16)19(23)17(2)20-14-9-18(10-15-20)21-11-5-3-6-12-21/h16-18H,3-15H2,1-2H3/p+2/t16-,17-/m0/s1