N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]tetralin-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]tetralin-6-carboxamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C21H26N2O2/c24-21(18-10-9-16-6-1-2-7-17(16)14-18)22-15-19(20-8-5-13-25-20)23-11-3-4-12-23/h5,8-10,13-14,19H,1-4,6-7,11-12,15H2,(H,22,24)/p+1/t19-/m0/s1