2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[acenaphthen-5-yl(mesyl)amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=C3C=CC=C4C3=C(CC4)C=C2)S(=O)(=O)C)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=C3C=CC=C4C3=C(CC4)C=C2)S(=O)(=O)C)CC1

InChI

InChI=1S/C21H26N4O3S/c1-24-12-10-17(11-13-24)22-23-20(26)14-25(29(2,27)28)19-9-8-16-7-6-15-4-3-5-18(19)21(15)16/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,23,26)/p+1