1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C29H31N2O4S+ MolecularWeight: 503.63244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4S/c1-34-29-19-24(11-14-28(29)35-22-23-7-3-2-4-8-23)21-30-15-17-31(18-16-30)36(32,33)27-13-12-25-9-5-6-10-26(25)20-27/h2-14,19-20H,15-18,21-22H2,1H3/p+1