(3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C27H34N2O3/c1-5-29(6-2)27(30)21-13-10-14-28(17-21)18-22-15-25-23(16-24(22)31-4)26(19(3)32-25)20-11-8-7-9-12-20/h7-9,11-12,15-16,21H,5-6,10,13-14,17-18H2,1-4H3/p+1/t21-/m0/s1