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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O/c1-4-25-11-13-26(14-12-25)21-10-9-19(15-20(21)23)24-22(27)18-7-5-17(6-8-18)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)/p+1