1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(4-ethoxy-3-methoxy-benzyl)piperazin-4-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O4S/c1-3-27-20-10-9-19(15-21(20)26-2)16-22-11-13-23(14-12-22)28(24,25)17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3/p+1