(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [2-methyl-5-(1-piperidinylsulfonyl)phenyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-piperidin-1-ylsulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C23H37N4O3S+ MolecularWeight: 449.62988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)CC[NH+]4CCCC4

InChI

InChI=1S/C23H36N4O3S/c1-20-7-8-21(31(29,30)27-11-3-2-4-12-27)19-22(20)23(28)26-17-15-25(16-18-26)14-13-24-9-5-6-10-24/h7-8,19H,2-6,9-18H2,1H3/p+1