[4-(phenylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-piperidinosulfonylphenyl)methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-7-3-1-4-8-20)21-9-11-22(12-10-21)30(28,29)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-19H2/p+1