(2S)-N-ethyl-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-4-19-18(24)14(2)20-17(23)13-21-8-10-22(11-9-21)15-6-5-7-16(12-15)25-3/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,19,24)(H,20,23)/p+1/t14-/m0/s1