2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c1-17-6-5-11-23(14-17)16-20(24)21-19-9-12-22(13-10-19)15-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H,21,24)/p+2/t17-/m0/s1