4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C19H26N3O+ MolecularWeight: 312.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCOC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O/c20-17-7-9-18(10-8-17)22-12-4-11-21(13-14-22)15-16-23-19-5-2-1-3-6-19/h1-3,5-10H,4,11-16,20H2/p+1