N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-8-7-18(22)15-19(20)23-21(26)9-10-24-11-13-25(14-12-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+2