dimethyl-[3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[1-(2-naphthylsulfonyl)piperidine-4-carbonyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[[1-(2-naphthylsulfonyl)isonipecotoyl]amino]propyl]ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H29N3O3S/c1-23(2)13-5-12-22-21(25)18-10-14-24(15-11-18)28(26,27)20-9-8-17-6-3-4-7-19(17)16-20/h3-4,6-9,16,18H,5,10-15H2,1-2H3,(H,22,25)/p+1