4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4)C

InChI

InChI=1S/C24H29N3O2/c1-18-8-9-19(2)27(18)21-12-10-20(11-13-21)24(28)25-17-22(23-7-6-16-29-23)26-14-4-3-5-15-26/h6-13,16,22H,3-5,14-15,17H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1