N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Formula: C22H37N3O+2 MolecularWeight: 359.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C22H35N3O/c1-3-18(2)19-7-9-20(10-8-19)23-22(26)17-24-15-11-21(12-16-24)25-13-5-4-6-14-25/h7-10,18,21H,3-6,11-17H2,1-2H3,(H,23,26)/p+2/t18-/m0/s1