N-methyl-5-morpholin-4-ylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-methyl-5-morpholin-4-ylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-morpholinosulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-methyl-5-(4-morpholinylsulfonyl)-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-morpholin-4-ylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)-(2-pyrrolidinobenzyl)amine Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-23(17-18-6-2-3-7-20(18)24-10-4-5-11-24)21-9-8-19(16-22-21)29(26,27)25-12-14-28-15-13-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3/p+1