2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C25H36N4O+2 MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-21-6-5-13-28(18-21)20-25(30)26-23-9-11-24(12-10-23)29-16-14-27(15-17-29)19-22-7-3-2-4-8-22/h2-4,7-12,21H,5-6,13-20H2,1H3,(H,26,30)/p+2/t21-/m0/s1