[1-(carboxymethyl)indol-2-yl]-ethanoyl-(furan-2-ylmethyl)-piperidin-4-yl-azanium

Systemtic Name: [1-(carboxymethyl)indol-2-yl]-ethanoyl-(furan-2-ylmethyl)-piperidin-4-yl-azanium Openeye Name: acetyl-[1-(carboxymethyl)indol-2-yl]-(2-furylmethyl)-(4-piperidyl)ammonium CAS Name: acetyl-[1-(carboxymethyl)-2-indolyl]-(2-furanylmethyl)-(4-piperidinyl)ammonium IUPAC Name: acetyl-[1-(carboxymethyl)indol-2-yl]-(furan-2-ylmethyl)-piperidin-4-ylazanium Traditional Name: acetyl-[1-(carboxymethyl)indol-2-yl]-(2-furfuryl)-(4-piperidyl)ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](CC1=CC=CO1)(C2CCNCC2)C3=CC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CC(=O)[N+](CC1=CC=CO1)(C2CCNCC2)C3=CC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C22H25N3O4/c1-16(26)25(15-19-6-4-12-29-19,18-8-10-23-11-9-18)21-13-17-5-2-3-7-20(17)24(21)14-22(27)28/h2-7,12-13,18,23H,8-11,14-15H2,1H3/p+1