(4-morpholin-4-ylsulfonylphenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(4-morpholinosulfonylphenyl)methyl]ammonium CAS Name: [4-(4-morpholinylsulfonyl)phenyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(4-morpholinosulfonylbenzyl)ammonium Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c27-30(28,26-14-16-29-17-15-26)23-8-6-20(7-9-23)18-24-22-10-12-25(13-11-22)19-21-4-2-1-3-5-21/h1-9,22,24H,10-19H2/p+2