N,N-diethyl-6-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]hydrazinyl]pyridine-3-sulfonamide Openeye Name: 6-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-[2-[1-(phenylmethyl)-4-piperidin-1-iumylidene]hydrazinyl]-3-pyridinesulfonamide IUPAC Name: 6-[2-(1-benzylpiperidin-1-ium-4-ylidene)hydrazinyl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[N'-(1-benzylpiperidin-1-ium-4-ylidene)hydrazino]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-3-26(4-2)29(27,28)20-10-11-21(22-16-20)24-23-19-12-14-25(15-13-19)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,22,24)/p+1