N,N-diethyl-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C21H32N4O2S+2 MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H30N4O2S/c1-3-25(4-2)28(26,27)20-11-12-21(23-16-20)22-15-18-7-9-19(10-8-18)17-24-13-5-6-14-24/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,22,23)/p+2