3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethyl-ammonium CAS Name: 3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethylammonium IUPAC Name: 3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-(4-aminophenyl)-1,4-diazepan-1-yl]propyl-trimethyl-ammonium Formula: C17H31N4+ MolecularWeight: 291.45484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1CCCN(CC1)C2=CC=C(C=C2)N

Isomeric SMILES

C[N+](C)(C)CCCN1CCCN(CC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H31N4/c1-21(2,3)15-5-11-19-10-4-12-20(14-13-19)17-8-6-16(18)7-9-17/h6-9H,4-5,10-15,18H2,1-3H3/q+1