N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-propoxybenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propoxybenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propoxy-benzamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-3-14-28-19-7-5-6-17(15-19)22(27)24-18-8-9-21(20(23)16-18)26-12-10-25(4-2)11-13-26/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,24,27)/p+1