3-(1-adamantylcarbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propionamide Formula: C27H42N5O2+ MolecularWeight: 468.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N5O2/c1-3-31-8-10-32(11-9-31)23-4-5-24(19(2)12-23)29-25(33)6-7-28-26(34)30-27-16-20-13-21(17-27)15-22(14-20)18-27/h4-5,12,20-22H,3,6-11,13-18H2,1-2H3,(H,29,33)(H2,28,30,34)/p+1