N,N-diethyl-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O3S/c1-3-25(4-2)29(26,27)20-9-10-21(23-16-20)22-15-18-7-5-6-8-19(18)17-24-11-13-28-14-12-24/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,22,23)/p+2