(2R)-N-(1-adamantyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]propionamide Formula: C25H39N4O+ MolecularWeight: 411.60336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H38N4O/c1-3-28-8-10-29(11-9-28)23-6-4-22(5-7-23)26-18(2)24(30)27-25-15-19-12-20(16-25)14-21(13-19)17-25/h4-7,18-21,26H,3,8-17H2,1-2H3,(H,27,30)/p+1/t18-,19?,20?,21?,25?/m1/s1