(3S)-N-[(3-methyloxetan-3-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3-methyloxetan-3-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(3-methyloxetan-3-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3-methyl-3-oxetanyl)methyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(3-methyloxetan-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(3-methyloxetan-3-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C23H37N3O2+2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1(COC1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O2/c1-23(17-28-18-23)16-24-22(27)20-8-5-11-26(15-20)21-9-12-25(13-10-21)14-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,24,27)/p+2/t20-/m0/s1