(4S)-N-but-2-ynyl-N-(furan-2-ylmethyl)azepan-1-ium-4-carboxamide

Systemtic Name: (4S)-N-but-2-ynyl-N-(furan-2-ylmethyl)azepan-1-ium-4-carboxamide Openeye Name: (4S)-N-but-2-ynyl-N-(2-furylmethyl)azepan-1-ium-4-carboxamide CAS Name: (4S)-N-but-2-ynyl-N-(2-furanylmethyl)-4-azepan-1-iumcarboxamide IUPAC Name: (4S)-N-but-2-ynyl-N-(furan-2-ylmethyl)azepan-1-ium-4-carboxamide Traditional Name: (4S)-N-but-2-ynyl-N-(2-furfuryl)azepan-1-ium-4-carboxamide Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)C(=O)C2CCC[NH2+]CC2

Isomeric SMILES

CC#CCN(CC1=CC=CO1)C(=O)[C@H]2CCC[NH2+]CC2

InChI

InChI=1S/C16H22N2O2/c1-2-3-11-18(13-15-7-5-12-20-15)16(19)14-6-4-9-17-10-8-14/h5,7,12,14,17H,4,6,8-11,13H2,1H3/p+1/t14-/m0/s1