3,5-bis(chloranyl)-N-ethyl-4-[3-(1-prop-2-ynylazepan-1-ium-1-yl)propoxy]aniline

Systemtic Name: 3,5-bis(chloranyl)-N-ethyl-4-[3-(1-prop-2-ynylazepan-1-ium-1-yl)propoxy]aniline Openeye Name: 3,5-dichloro-N-ethyl-4-[3-(1-prop-2-ynylazepan-1-ium-1-yl)propoxy]aniline CAS Name: 3,5-dichloro-N-ethyl-4-[3-(1-prop-2-ynyl-1-azepan-1-iumyl)propoxy]aniline IUPAC Name: 3,5-dichloro-N-ethyl-4-[3-(1-prop-2-ynylazepan-1-ium-1-yl)propoxy]aniline Traditional Name: [3,5-dichloro-4-[3-(1-propargylazepan-1-ium-1-yl)propoxy]phenyl]-ethyl-amine Formula: C20H29Cl2N2O+ MolecularWeight: 384.36306

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C(=C1)Cl)OCCC[N+]2(CCCCCC2)CC#C)Cl

Isomeric SMILES

CCNC1=CC(=C(C(=C1)Cl)OCCC[N+]2(CCCCCC2)CC#C)Cl

InChI

InChI=1S/C20H29Cl2N2O/c1-3-10-24(11-7-5-6-8-12-24)13-9-14-25-20-18(21)15-17(23-4-2)16-19(20)22/h1,15-16,23H,4-14H2,2H3/q+1