N,N-dimethyl-4-[(pyren-1-ylmethylamino)methyl]aniline dihydrochloride

Systemtic Name: N,N-dimethyl-4-[(pyren-1-ylmethylamino)methyl]aniline dihydrochloride Openeye Name: N,N-dimethyl-4-[(pyren-1-ylmethylamino)methyl]aniline dihydrochloride CAS Name: N,N-dimethyl-4-[(1-pyrenylmethylamino)methyl]aniline dihydrochloride IUPAC Name: N,N-dimethyl-4-[(pyren-1-ylmethylamino)methyl]aniline dihydrochloride Traditional Name: dimethyl-[4-[(pyren-1-ylmethylamino)methyl]phenyl]amine dihydrochloride Formula: C26H26Cl2N2 MolecularWeight: 437.40404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl.Cl

InChI

InChI=1S/C26H24N2.2ClH/c1-28(2)23-13-6-18(7-14-23)16-27-17-22-11-10-21-9-8-19-4-3-5-20-12-15-24(22)26(21)25(19)20;;/h3-15,27H,16-17H2,1-2H3;2*1H