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

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]propanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]propanamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c30-25(27-26-23-12-14-28(15-13-23)20-22-4-2-1-3-5-22)11-8-21-6-9-24(10-7-21)34(31,32)29-16-18-33-19-17-29/h1-7,9-10H,8,11-20H2,(H,27,30)/p+1