(2S)-N-ethyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]propanamide IUPAC Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethyl-propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2/c1-3-20-19(24)15(2)21-18(23)14-22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,24)(H,21,23)/p+1/t15-/m0/s1