[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone

Systemtic Name: [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Openeye Name: [(2R,6R)-2,6-dimethyl-1-piperidyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone CAS Name: [(2R,6R)-2,6-dimethyl-1-piperidinyl]-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methanone IUPAC Name: [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Traditional Name: [(2R,6R)-2,6-dimethylpiperidino]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H29N3O3S/c1-15-5-4-6-16(2)22(15)19(23)17-7-9-18(10-8-17)26(24,25)21-13-11-20(3)12-14-21/h7-10,15-16H,4-6,11-14H2,1-3H3/p+1/t15-,16-/m1/s1