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

Systemtic Name: (2S)-2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H28N4O3/c1-3-8-19-18(25)14(2)20-17(24)13-21-9-11-22(12-10-21)15-4-6-16(23)7-5-15/h4-7,14,23H,3,8-13H2,1-2H3,(H,19,25)(H,20,24)/p+1/t14-/m0/s1