N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-coumarilamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C24H28N2O3/c1-17-20-8-4-5-9-22(20)29-23(17)24(27)25-16-21(26-14-6-3-7-15-26)18-10-12-19(28-2)13-11-18/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,25,27)/p+1/t21-/m1/s1