N-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline

Systemtic Name: N-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline Openeye Name: N-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline CAS Name: N-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-3-(1-pyrrolidin-1-iumylmethyl)aniline IUPAC Name: N-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(pyrrolidin-1-ium-1-ylmethyl)aniline Traditional Name: (6-methoxy-2H-chromen-3-yl)methyl-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amine Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)CNC3=CC=CC(=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)CNC3=CC=CC(=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N2O2/c1-25-21-7-8-22-19(13-21)11-18(16-26-22)14-23-20-6-4-5-17(12-20)15-24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10,14-16H2,1H3/p+1