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

Systemtic Name: N-methyl-5-piperidin-1-ylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-(1-piperidylsulfonyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-methyl-5-(1-piperidinylsulfonyl)-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-piperidin-1-ylsulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)-(2-pyrrolidinobenzyl)amine Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c1-24(18-19-9-3-4-10-21(19)25-13-7-8-14-25)22-12-11-20(17-23-22)29(27,28)26-15-5-2-6-16-26/h3-4,9-12,17H,2,5-8,13-16,18H2,1H3/p+1