N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N3O2/c1-5-20-9-11-21(12-10-20)25(19(2)3)26-24(29)18-27-13-15-28(16-14-27)22-7-6-8-23(17-22)30-4/h6-12,17,19,25H,5,13-16,18H2,1-4H3,(H,26,29)/p+1/t25-/m0/s1