1-[4-[bis(azanyl)methylidenecarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)phenyl]piperidin-1-ium-1-sulfinate

Systemtic Name: 1-[4-[bis(azanyl)methylidenecarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)phenyl]piperidin-1-ium-1-sulfinate Openeye Name: 1-[4-(diaminomethylenecarbamoyl)-2-(3,5-dimethyl-1-piperidyl)phenyl]piperidin-1-ium-1-sulfinate CAS Name: 1-[4-[(diaminomethylideneamino)-oxomethyl]-2-(3,5-dimethyl-1-piperidinyl)phenyl]-1-piperidin-1-iumsulfinate IUPAC Name: 1-[4-(diaminomethylidenecarbamoyl)-2-(3,5-dimethylpiperidin-1-yl)phenyl]piperidin-1-ium-1-sulfinate Traditional Name: 1-[4-(diaminomethylenecarbamoyl)-2-(3,5-dimethylpiperidino)phenyl]piperidin-1-ium-1-sulfinate Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=CC(=C2)C(=O)N=C(N)N)[N+]3(CCCCC3)S(=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=CC(=C2)C(=O)N=C(N)N)[N+]3(CCCCC3)S(=O)[O-])C

InChI

InChI=1S/C20H31N5O3S/c1-14-10-15(2)13-24(12-14)17-11-16(19(26)23-20(21)22)6-7-18(17)25(29(27)28)8-4-3-5-9-25/h6-7,11,14-15H,3-5,8-10,12-13H2,1-2H3,(H4-,21,22,23,26,27,28)