4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-27-16-18-29(19-17-27)24-11-9-22(10-12-24)25(30)26-23-8-5-14-28(20-23)15-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,23H,5,8,13-20H2,1H3,(H,26,30)/p+2/t23-/m0/s1