N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (4-ethoxybenzyl)-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-3-26-18-9-7-17(8-10-18)16-22(2)20-12-11-19(15-21-20)27(24,25)23-13-5-4-6-14-23/h7-12,15H,3-6,13-14,16H2,1-2H3/p+1