(2S)-N-(cyclopropylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(cyclopropylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H24N4O3/c1-12(16(23)19-17(24)18-13-2-3-13)20-8-10-21(11-9-20)14-4-6-15(22)7-5-14/h4-7,12-13,22H,2-3,8-11H2,1H3,(H2,18,19,23,24)/p+1/t12-/m0/s1