2-[4-[4-[(4-cyclopentylphenyl)-propanoyl-amino]butyl]piperazin-4-ium-1-yl]ethyl propanoate

Systemtic Name: 2-[4-[4-[(4-cyclopentylphenyl)-propanoyl-amino]butyl]piperazin-4-ium-1-yl]ethyl propanoate Openeye Name: 2-[4-[4-(4-cyclopentyl-N-propanoyl-anilino)butyl]piperazin-4-ium-1-yl]ethyl propanoate CAS Name: propanoic acid 2-[4-[4-[4-cyclopentyl-N-(1-oxopropyl)anilino]butyl]-1-piperazin-4-iumyl]ethyl ester IUPAC Name: 2-[4-[4-(4-cyclopentyl-N-propanoylanilino)butyl]piperazin-4-ium-1-yl]ethyl propanoate Traditional Name: propionic acid 2-[4-[4-(4-cyclopentyl-N-propionyl-anilino)butyl]piperazin-4-ium-1-yl]ethyl ester Formula: C27H44N3O3+ MolecularWeight: 458.65656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCCC[NH+]1CCN(CC1)CCOC(=O)CC)C2=CC=C(C=C2)C3CCCC3

Isomeric SMILES

CCC(=O)N(CCCC[NH+]1CCN(CC1)CCOC(=O)CC)C2=CC=C(C=C2)C3CCCC3

InChI

InChI=1S/C27H43N3O3/c1-3-26(31)30(25-13-11-24(12-14-25)23-9-5-6-10-23)16-8-7-15-28-17-19-29(20-18-28)21-22-33-27(32)4-2/h11-14,23H,3-10,15-22H2,1-2H3/p+1