[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-3-33-24-11-8-22(9-12-24)20-27-15-17-28(18-16-27)26(30)23-10-7-21(2)25(19-23)34(31,32)29-13-5-4-6-14-29/h7-12,19H,3-6,13-18,20H2,1-2H3/p+1