N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-isopropoxy-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-propan-2-yloxybenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-isopropoxy-benzamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC(C)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC(C)C)Cl

InChI

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