4-[4-[2-(azepan-1-ium-1-yl)ethyl]piperazin-1-yl]aniline

Systemtic Name: 4-[4-[2-(azepan-1-ium-1-yl)ethyl]piperazin-1-yl]aniline Openeye Name: 4-[4-[2-(azepan-1-ium-1-yl)ethyl]piperazin-1-yl]aniline CAS Name: 4-[4-[2-(1-azepan-1-iumyl)ethyl]-1-piperazinyl]aniline IUPAC Name: 4-[4-[2-(azepan-1-ium-1-yl)ethyl]piperazin-1-yl]aniline Traditional Name: [4-[4-[2-(azepan-1-ium-1-yl)ethyl]piperazino]phenyl]amine Formula: C18H31N4+ MolecularWeight: 303.46554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCN2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)CCN2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H30N4/c19-17-5-7-18(8-6-17)22-15-13-21(14-16-22)12-11-20-9-3-1-2-4-10-20/h5-8H,1-4,9-16,19H2/p+1