2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H43N5O2+2 MolecularWeight: 457.65192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H41N5O2/c1-2-28-17-19-30(20-18-28)24-9-7-23(8-10-24)27-25(32)21-29-15-11-22(12-16-29)26(33)31-13-5-3-4-6-14-31/h7-10,22H,2-6,11-21H2,1H3,(H,27,32)/p+2