(2S)-2-(1,4-diazepan-4-ium-1-yl)-N-prop-2-ynyl-propanamide

Systemtic Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-prop-2-ynyl-propanamide Openeye Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-prop-2-ynyl-propanamide CAS Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-prop-2-ynylpropanamide IUPAC Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-prop-2-ynylpropanamide Traditional Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-N-propargyl-propionamide Formula: C11H20N3O+ MolecularWeight: 210.296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1CCC[NH2+]CC1

Isomeric SMILES

C[C@@H](C(=O)NCC#C)N1CCC[NH2+]CC1

InChI

InChI=1S/C11H19N3O/c1-3-5-13-11(15)10(2)14-8-4-6-12-7-9-14/h1,10,12H,4-9H2,2H3,(H,13,15)/p+1/t10-/m0/s1