N-(3-methoxypropyl)-2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-17-5-12-24-22(27)18-25-13-15-26(16-14-25)23(28)21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3,(H,24,27)/p+1