(2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide

Systemtic Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Openeye Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide CAS Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]propanamide IUPAC Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Traditional Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propionamide Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCCCN1CC[NH+](CC1)C)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H35N3O2/c1-17(26-19-9-7-18(8-10-19)21(2,3)4)20(25)22-11-6-12-24-15-13-23(5)14-16-24/h7-10,17H,6,11-16H2,1-5H3,(H,22,25)/p+1/t17-/m0/s1