N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(6-methoxy-2-naphthyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(6-methoxy-2-naphthalenyl)methyl]-N-methyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (6-methoxy-2-naphthyl)methyl-methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O3S/c1-24(16-17-5-6-19-14-20(28-2)8-7-18(19)13-17)22-10-9-21(15-23-22)29(26,27)25-11-3-4-12-25/h5-10,13-15H,3-4,11-12,16H2,1-2H3/p+1