3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[(1-propyl-4-piperidin-1-iumylidene)amino]propanamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propionamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC1

InChI

InChI=1S/C21H32N4O4S/c1-2-11-24-12-9-19(10-13-24)22-23-21(26)8-5-18-3-6-20(7-4-18)30(27,28)25-14-16-29-17-15-25/h3-4,6-7H,2,5,8-17H2,1H3,(H,23,26)/p+1