4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C24H33N3O4S/c28-24(25-19-22(23-9-8-18-31-23)26-14-4-3-5-15-26)20-10-12-21(13-11-20)32(29,30)27-16-6-1-2-7-17-27/h8-13,18,22H,1-7,14-17,19H2,(H,25,28)/p+1/t22-/m0/s1